1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

C23H29FN4O4S — CID 93018883

IUPAC1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H29FN4O4S/c1-3-15(2)27-33(31,32)21-14-17(26-23(30)18-6-4-5-7-19(18)24)8-9-20(21)28-12-10-16(11-13-28)22(25)29/h4-9,14-16,27H,3,10-13H2,1-2H3,(H2,25,29)(H,26,30)/t15-/m1/s1
InChIKeySQRKZRSNFRNJBZ-OAHLLOKOSA-N
MW476.57 g/mol
LogP2.86
Rot. Bonds8

About 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide

1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide (PubChem CID 93018883) has the molecular formula C23H29FN4O4S and a molecular weight of 476.57 g/mol. Its IUPAC name is 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide
PubChem CID93018883
Molecular FormulaC23H29FN4O4S
Molecular Weight476.57 g/mol
Exact Mass476.19
IUPAC Name1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide
SMILESCC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCC(C(N)=O)CC1
InChIInChI=1S/C23H29FN4O4S/c1-3-15(2)27-33(31,32)21-14-17(26-23(30)18-6-4-5-7-19(18)24)8-9-20(21)28-12-10-16(11-13-28)22(25)29/h4-9,14-16,27H,3,10-13H2,1-2H3,(H2,25,29)(H,26,30)/t15-/m1/s1
InChIKeySQRKZRSNFRNJBZ-OAHLLOKOSA-N
XLogP2.86
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.57
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

1-[4-[(2-chloroacetyl)amino]-2-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]piperidine-4-carboxamide
CID 93018894
1-[4-[(3,5-dimethoxybenzoyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 46110555
2-fluoro-N-[4-[4-(2-methoxyphenyl)piperazin-1-yl]-3-(1-phenylethylsulfamoyl)phenyl]benzamide
CID 46110417
1-[4-[(2-phenoxyacetyl)amino]-2-(1-phenylethylsulfamoyl)phenyl]piperidine-4-carboxamide
CID 42882175
5-[2-(butan-2-ylsulfamoyl)-4-[(2-fluorobenzoyl)amino]phenoxy]-1,4-dimethylpyrazole-3-carboxylic acid
CID 91633270
5-[(2-fluorobenzoyl)amino]-2-(4-methylpiperidin-1-yl)-N-propan-2-ylbenzamide
CID 1063277
N-[4-[4-(butan-2-ylamino)piperidin-1-yl]phenyl]-2-fluorobenzamide
CID 45243203
ethyl 1-[4-[(2-methylbenzoyl)amino]-2-[[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]sulfamoyl]phenyl]piperidine-4-carboxylate
CID 98410178
N-[4-(4-ethylpiperazin-1-yl)-3-(1-phenylethylsulfamoyl)phenyl]-2-methoxybenzamide
CID 46110278
2-(4-ethoxycarbonylpiperazin-1-yl)-5-[(2-fluorobenzoyl)amino]benzoic acid
CID 46362977
2-[4-(cyclopropanecarbonyl)piperazin-1-yl]-N,N-diethyl-5-[(2-fluorobenzoyl)amino]benzamide
CID 42673115
4-(4-ethoxycarbonylpiperidin-1-yl)-3-[(2-fluorobenzoyl)amino]benzoic acid
CID 53052912

Frequently Asked Questions

What is the IUPAC name of 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide?
The IUPAC name of 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide (CID 93018883) is 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide?
The canonical SMILES for 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide is CC[C@@H](C)NS(=O)(=O)c1cc(NC(=O)c2ccccc2F)ccc1N1CCC(C(N)=O)CC1.
What is the InChIKey of 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide?
The InChIKey is SQRKZRSNFRNJBZ-OAHLLOKOSA-N. The full InChI is InChI=1S/C23H29FN4O4S/c1-3-15(2)27-33(31,32)21-14-17(26-23(30)18-6-4-5-7-19(18)24)8-9-20(21)28-12-10-16(11-13-28)22(25)29/h4-9,14-16,27H,3,10-13H2,1-2H3,(H2,25,29)(H,26,30)/t15-/m1/s1.
What are the key properties of 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide?
1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide has a molecular weight of 476.57 g/mol, XLogP of 2.86, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[[(2R)-butan-2-yl]sulfamoyl]-4-[(2-fluorobenzoyl)amino]phenyl]piperidine-4-carboxamide is sourced from PubChem (CID 93018883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).