N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide — IUPAC name, SMILES, InChIKey & properties

Name: N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide — Molecular Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

About N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide

N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide (PubChem CID 158010330) has the molecular formula C103H151ClN16O18S5 and a molecular weight of 2097.22 g/mol. Its IUPAC name is N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide.

Molecular Properties

Compound Name	N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide
PubChem CID	158010330
Molecular Formula	C103H151ClN16O18S5
Molecular Weight	2097.22 g/mol
Exact Mass	2094.97
IUPAC Name	N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide
SMILES	CC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCNCC2)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc21
InChI	InChI=1S/C23H26ClN3O5S.C23H31N3O3S.C20H33N3O3S.C19H32N4O3S.C18H29N3O4S/c1-23(2,3)33(31,32)25-13-5-4-6-20(28)26-16-8-10-17(11-9-16)27-21(29)18-12-7-15(24)14-19(18)22(27)30;1-5-26-20-11-7-6-10-18(20)19-16-17(13-14-21(19)26)25-22(27)12-8-9-15-24-30(28,29)23(2,3)4;1-20(2,3)27(25,26)21-14-6-5-9-19(24)22-17-10-12-18(13-11-17)23-15-7-4-8-16-23;1-19(2,3)27(25,26)21-11-5-4-6-18(24)22-16-7-9-17(10-8-16)23-14-12-20-13-15-23;1-14(22)21(5)16-11-9-15(10-12-16)20-17(23)8-6-7-13-19-26(24,25)18(2,3)4/h7-12,14,25H,4-6,13H2,1-3H3,(H,26,28);6-7,10-11,13-14,16,24H,5,8-9,12,15H2,1-4H3,(H,25,27);10-13,21H,4-9,14-16H2,1-3H3,(H,22,24);7-10,20-21H,4-6,11-15H2,1-3H3,(H,22,24);9-12,19H,6-8,13H2,1-5H3,(H,20,23)
InChIKey	FEUQCQWAYKMWQE-UHFFFAOYSA-N
XLogP	16.53
TPSA	457.48 Å²
H-Bond Donors	11
H-Bond Acceptors	22
Rotatable Bonds	40
Heavy Atoms	143
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2097.22
LogP ≤ 5	16.53
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	22

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': 'phthalimide', 'substructure': 'N/A'}

Analyze N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?

The IUPAC name of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide (CID 158010330) is N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide.

What is the SMILES notation for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?

The canonical SMILES for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide is CC(=O)N(C)c1ccc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2C(=O)c3ccc(Cl)cc3C2=O)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCCCC2)cc1.CC(C)(C)S(=O)(=O)NCCCCC(=O)Nc1ccc(N2CCNCC2)cc1.CCn1c2ccccc2c2cc(NC(=O)CCCCNS(=O)(=O)C(C)(C)C)ccc21.

What is the InChIKey of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?

The InChIKey is FEUQCQWAYKMWQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26ClN3O5S.C23H31N3O3S.C20H33N3O3S.C19H32N4O3S.C18H29N3O4S/c1-23(2,3)33(31,32)25-13-5-4-6-20(28)26-16-8-10-17(11-9-16)27-21(29)18-12-7-15(24)14-19(18)22(27)30;1-5-26-20-11-7-6-10-18(20)19-16-17(13-14-21(19)26)25-22(27)12-8-9-15-24-30(28,29)23(2,3)4;1-20(2,3)27(25,26)21-14-6-5-9-19(24)22-17-10-12-18(13-11-17)23-15-7-4-8-16-23;1-19(2,3)27(25,26)21-11-5-4-6-18(24)22-16-7-9-17(10-8-16)23-14-12-20-13-15-23;1-14(22)21(5)16-11-9-15(10-12-16)20-17(23)8-6-7-13-19-26(24,25)18(2,3)4/h7-12,14,25H,4-6,13H2,1-3H3,(H,26,28);6-7,10-11,13-14,16,24H,5,8-9,12,15H2,1-4H3,(H,25,27);10-13,21H,4-9,14-16H2,1-3H3,(H,22,24);7-10,20-21H,4-6,11-15H2,1-3H3,(H,22,24);9-12,19H,6-8,13H2,1-5H3,(H,20,23).

What are the key properties of N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide?

Where does this data come from?

All data for N-[4-[acetyl(methyl)amino]phenyl]-5-(tert-butylsulfonylamino)pentanamide;5-(tert-butylsulfonylamino)-N-[4-(5-chloro-1,3-dioxoisoindol-2-yl)phenyl]pentanamide;5-(tert-butylsulfonylamino)-N-(9-ethylcarbazol-3-yl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperazin-1-ylphenyl)pentanamide;5-(tert-butylsulfonylamino)-N-(4-piperidin-1-ylphenyl)pentanamide is sourced from PubChem (CID 158010330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).