(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide

C21H26N4O4S — CID 51672985

IUPAC(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H26N4O4S/c1-15(20(26)23-18-9-11-19(12-10-18)30(22,28)29)25-13-5-6-16(14-25)21(27)24-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)/t15-,16-/m0/s1
InChIKeyJSVPZGIPEVUKRB-HOTGVXAUSA-N
MW430.53 g/mol
LogP2.01
Rot. Bonds6

About (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide

(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide (PubChem CID 51672985) has the molecular formula C21H26N4O4S and a molecular weight of 430.53 g/mol. Its IUPAC name is (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
PubChem CID51672985
Molecular FormulaC21H26N4O4S
Molecular Weight430.53 g/mol
Exact Mass430.17
IUPAC Name(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide
SMILESC[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1
InChIInChI=1S/C21H26N4O4S/c1-15(20(26)23-18-9-11-19(12-10-18)30(22,28)29)25-13-5-6-16(14-25)21(27)24-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)/t15-,16-/m0/s1
InChIKeyJSVPZGIPEVUKRB-HOTGVXAUSA-N
XLogP2.01
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.53
LogP ≤ 52.01
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-1-[1-oxo-1-(4-sulfamoylanilino)propan-2-yl]piperidine-3-carboxamide
CID 48938077
(3S)-1-[(2S)-1-(cyclohexylamino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 51500739
2-[3-(methylamino)piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide;hydrochloride
CID 119918352
1-[1-(3-chloroanilino)-1-oxopropan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 17498457
1-[1-oxo-1-[4-(trifluoromethoxy)anilino]propan-2-yl]-N-phenylpiperidine-3-carboxamide
CID 46663268
(2R)-2-[(3S)-3-[(4-methylpiperazin-1-yl)methyl]piperidin-1-yl]-N-(4-sulfamoylphenyl)propanamide
CID 98794961
2-(4-benzhydrylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42996416
2-(4-phenylpiperazin-1-yl)-N-(4-sulfamoylphenyl)propanamide
CID 42911835
1-(1-anilino-1-oxopropan-2-yl)-N-phenylpiperidine-4-carboxamide
CID 46615473
2-[3-(methylamino)piperidin-1-yl]-N-(3-sulfamoylphenyl)propanamide;hydrochloride
CID 119918280
1-(4-methylphenyl)sulfonyl-N-(4-sulfamoylphenyl)piperidine-3-carboxamide
CID 16863432
N-phenyl-2-piperidin-1-ylpropanamide
CID 4788909

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide?
The IUPAC name of (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide (CID 51672985) is (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide.
What is the SMILES notation for (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide?
The canonical SMILES for (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide is C[C@@H](C(=O)Nc1ccc(S(N)(=O)=O)cc1)N1CCC[C@H](C(=O)Nc2ccccc2)C1.
What is the InChIKey of (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide?
The InChIKey is JSVPZGIPEVUKRB-HOTGVXAUSA-N. The full InChI is InChI=1S/C21H26N4O4S/c1-15(20(26)23-18-9-11-19(12-10-18)30(22,28)29)25-13-5-6-16(14-25)21(27)24-17-7-3-2-4-8-17/h2-4,7-12,15-16H,5-6,13-14H2,1H3,(H,23,26)(H,24,27)(H2,22,28,29)/t15-,16-/m0/s1.
What are the key properties of (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide?
(3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide has a molecular weight of 430.53 g/mol, XLogP of 2.01, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(2S)-1-oxo-1-(4-sulfamoylanilino)propan-2-yl]-N-phenylpiperidine-3-carboxamide is sourced from PubChem (CID 51672985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).