N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide

C24H37N3O6S — CID 18397257

IUPACN-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H](CCC2CCCC2)C(=O)N(O)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H37N3O6S/c1-25(34(31,32)22-14-12-21(33-2)13-15-22)18-20(11-10-19-8-4-5-9-19)23(28)27(30)24(29)26-16-6-3-7-17-26/h12-15,19-20,30H,3-11,16-18H2,1-2H3/t20-/m0/s1
InChIKeyRUFPELZIVMXKHZ-FQEVSTJZSA-N
MW495.64 g/mol
LogP3.73
Rot. Bonds9

About N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide

N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide (PubChem CID 18397257) has the molecular formula C24H37N3O6S and a molecular weight of 495.64 g/mol. Its IUPAC name is N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide
PubChem CID18397257
Molecular FormulaC24H37N3O6S
Molecular Weight495.64 g/mol
Exact Mass495.24
IUPAC NameN-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide
SMILESCOc1ccc(S(=O)(=O)N(C)C[C@H](CCC2CCCC2)C(=O)N(O)C(=O)N2CCCCC2)cc1
InChIInChI=1S/C24H37N3O6S/c1-25(34(31,32)22-14-12-21(33-2)13-15-22)18-20(11-10-19-8-4-5-9-19)23(28)27(30)24(29)26-16-6-3-7-17-26/h12-15,19-20,30H,3-11,16-18H2,1-2H3/t20-/m0/s1
InChIKeyRUFPELZIVMXKHZ-FQEVSTJZSA-N
XLogP3.73
TPSA107.46 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.64
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

4-(cyclohexylmethoxy)-N-[(2S)-2-hydroxy-3-methoxypropyl]-N-methylbenzenesulfonamide
CID 97246564
(2S,3R)-N-hydroxy-2-[2-[(4-methoxyphenyl)sulfonyl-methylamino]ethyl]-5-methyl-3-(piperidine-1-carbonyl)hexanamide
CID 54365569
2-[(4-methoxyphenyl)sulfonyl-methylamino]-N-[1-(4-piperidin-1-ylphenyl)ethyl]acetamide
CID 133265243
1-[(3S)-3-[2-(4-methoxyphenyl)ethyl]piperidin-1-yl]-4-methylpentane-1,2-dione
CID 95486491
4,4,4-trifluoro-1-[4-(4-methoxyphenyl)sulfonylpiperidin-1-yl]butan-1-one
CID 90591882
N-[2-(azepan-1-yl)-2-oxoethyl]-4-methoxy-N-phenylbenzenesulfonamide
CID 1138674
4-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]benzoic acid
CID 100553172
N-cyclopropyl-2-[(4-methoxyphenyl)sulfonyl-methylamino]acetamide
CID 894252
4-methoxy-N-[[(3S)-1-(2-piperidin-1-ylacetyl)piperidin-3-yl]methyl]benzenesulfonamide
CID 42460993
[1-(4-methoxyphenyl)sulfonylpiperidin-3-yl]-piperidin-1-ylmethanone
CID 2931612
(2S)-N-cyclohexyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-ium-1-yl]-N-methylpropanamide
CID 8746180
1-[(2R)-2-(4-methoxyphenyl)azepan-1-yl]-2-[methyl(propan-2-yl)amino]ethanone
CID 95042438

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide?
The IUPAC name of N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide (CID 18397257) is N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide.
What is the SMILES notation for N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide?
The canonical SMILES for N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide is COc1ccc(S(=O)(=O)N(C)C[C@H](CCC2CCCC2)C(=O)N(O)C(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide?
The InChIKey is RUFPELZIVMXKHZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C24H37N3O6S/c1-25(34(31,32)22-14-12-21(33-2)13-15-22)18-20(11-10-19-8-4-5-9-19)23(28)27(30)24(29)26-16-6-3-7-17-26/h12-15,19-20,30H,3-11,16-18H2,1-2H3/t20-/m0/s1.
What are the key properties of N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide?
N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide has a molecular weight of 495.64 g/mol, XLogP of 3.73, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-4-cyclopentyl-2-[[(4-methoxyphenyl)sulfonyl-methylamino]methyl]butanoyl]-N-hydroxypiperidine-1-carboxamide is sourced from PubChem (CID 18397257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).