N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide

C101H168N18O18S6Si2 — CID 162155365

IUPACN-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C31H61N3O5SSi2.C20H32N4O4S.C17H26N4O3S2.C17H25N3O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;17-;;;/m.0.../s1
InChIKeyZLTHTNKDVRZXET-JKXCFWLASA-N
MW2171.14 g/mol
LogP17.28
Rot. Bonds47

About N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide

N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide (PubChem CID 162155365) has the molecular formula C101H168N18O18S6Si2 and a molecular weight of 2171.14 g/mol. Its IUPAC name is N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide
PubChem CID162155365
Molecular FormulaC101H168N18O18S6Si2
Molecular Weight2171.14 g/mol
Exact Mass2169.06
IUPAC NameN-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide
SMILESCC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1
InChIInChI=1S/C31H61N3O5SSi2.C20H32N4O4S.C17H26N4O3S2.C17H25N3O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;17-;;;/m.0.../s1
InChIKeyZLTHTNKDVRZXET-JKXCFWLASA-N
XLogP17.28
TPSA512.91 Ų
H-Bond Donors15
H-Bond Acceptors24
Rotatable Bonds47
Heavy Atoms145
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002171.14
LogP ≤ 517.28
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'heavy_metal', 'substructure': 'N/A'}, {'alert_name': 'sulphur_nitrogen_single_bond', 'substructure': 'N/A'}

Analyze N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide (CID 162155365) is N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(C2=CSNN2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCC[C@H]2C(N)=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ccc2c1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc2[nH]ncc2c1.CC(C)(C)[Si](C)(C)OCCN(CCO[Si](C)(C)C(C)(C)C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.
What is the InChIKey of N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide?
The InChIKey is ZLTHTNKDVRZXET-JKXCFWLASA-N. The full InChI is InChI=1S/C31H61N3O5SSi2.C20H32N4O4S.C17H26N4O3S2.C17H25N3O3S.C16H24N4O3S/c1-29(2,3)40(36,37)32-21-15-14-16-28(35)33-26-17-19-27(20-18-26)34(22-24-38-41(10,11)30(4,5)6)23-25-39-42(12,13)31(7,8)9;1-20(2,3)29(27,28)22-13-5-4-8-18(25)23-15-9-11-16(12-10-15)24-14-6-7-17(24)19(21)26;1-17(2,3)26(23,24)18-11-5-4-6-16(22)19-14-9-7-13(8-10-14)15-12-25-21-20-15;1-17(2,3)24(22,23)19-10-5-4-6-16(21)20-14-7-8-15-13(12-14)9-11-18-15;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h17-20,32H,14-16,21-25H2,1-13H3,(H,33,35);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);7-10,12,18,20-21H,4-6,11H2,1-3H3,(H,19,22);7-9,11-12,18-19H,4-6,10H2,1-3H3,(H,20,21);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;17-;;;/m.0.../s1.
What are the key properties of N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide?
N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide has a molecular weight of 2171.14 g/mol, XLogP of 17.28, 47 rotatable bonds, 15 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[bis[2-[tert-butyl(dimethyl)silyl]oxyethyl]amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(2,3-dihydrothiadiazol-4-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(1H-indol-5-yl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 162155365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).