5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide — IUPAC name, SMILES, InChIKey & properties

Name: 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide

5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide (PubChem CID 159290348) has the molecular formula C94H135N19O16S6 and a molecular weight of 1979.63 g/mol. Its IUPAC name is 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide.

Molecular Properties

Compound Name	5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
PubChem CID	159290348
Molecular Formula	C94H135N19O16S6
Molecular Weight	1979.63 g/mol
Exact Mass	1977.87
IUPAC Name	5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide
SMILES	CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)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]ncc2c1
InChI	InChI=1S/C23H29N3O3S.C20H32N4O4S.C18H26N4O3S.C17H24N4O3S2.C16H24N4O3S/c1-23(2,3)30(28,29)24-16-7-6-10-22(27)25-19-11-13-20(14-12-19)26-17-15-18-8-4-5-9-21(18)26;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;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22;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;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h4-5,8-9,11-15,17,24H,6-7,10,16H2,1-3H3,(H,25,27);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23);7-10,12,18H,4-6,11H2,1-3H3,(H,19,22);7-8,10-11,18H,4-6,9H2,1-3H3,(H,17,20)(H,19,21)/t;17-;;;/m.0.../s1
InChIKey	LAAOHBRZPNAFFI-JKXCFWLASA-N
XLogP	14.55
TPSA	499.89 Å²
H-Bond Donors	12
H-Bond Acceptors	24
Rotatable Bonds	40
Heavy Atoms	135
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1979.63
LogP ≤ 5	14.55
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

Structural Alerts	{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?

The IUPAC name of 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide (CID 159290348) is 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide.

What is the SMILES notation for 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?

The canonical SMILES for 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide is CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-c2csnn2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2ccc3ccccc32)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(-n2cccn2)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]ncc2c1.

What is the InChIKey of 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?

The InChIKey is LAAOHBRZPNAFFI-JKXCFWLASA-N. The full InChI is InChI=1S/C23H29N3O3S.C20H32N4O4S.C18H26N4O3S.C17H24N4O3S2.C16H24N4O3S/c1-23(2,3)30(28,29)24-16-7-6-10-22(27)25-19-11-13-20(14-12-19)26-17-15-18-8-4-5-9-21(18)26;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;1-18(2,3)26(24,25)20-13-5-4-7-17(23)21-15-8-10-16(11-9-15)22-14-6-12-19-22;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;1-16(2,3)24(22,23)18-9-5-4-6-15(21)19-13-7-8-14-12(10-13)11-17-20-14/h4-5,8-9,11-15,17,24H,6-7,10,16H2,1-3H3,(H,25,27);9-12,17,22H,4-8,13-14H2,1-3H3,(H2,21,26)(H,23,25);6,8-12,14,20H,4-5,7,13H2,1-3H3,(H,21,23);7-10,12,18H,4-6,11H2,1-3H3,(H,19,22);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 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide?

Where does this data come from?

All data for 5-(tert-butylsulfonylamino)-N-(1H-indazol-5-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-indol-1-ylphenyl)pentanamide;(2S)-1-[4-[5-(tert-butylsulfonylamino)pentanoylamino]phenyl]pyrrolidine-2-carboxamide;5-(tert-butylsulfonylamino)-N-(4-pyrazol-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(thiadiazol-4-yl)phenyl]pentanamide is sourced from PubChem (CID 159290348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).