(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide

C18H26N4O4S — CID 97348320

IUPAC(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C18H26N4O4S/c19-17(23)13-5-3-8-15(11-13)20-18(24)22-10-4-9-16(12-22)27(25,26)21-14-6-1-2-7-14/h3,5,8,11,14,16,21H,1-2,4,6-7,9-10,12H2,(H2,19,23)(H,20,24)/t16-/m0/s1
InChIKeyHFNJEZXERMRBLV-INIZCTEOSA-N
MW394.50 g/mol
LogP1.64
Rot. Bonds5

About (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide

(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide (PubChem CID 97348320) has the molecular formula C18H26N4O4S and a molecular weight of 394.50 g/mol. Its IUPAC name is (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
PubChem CID97348320
Molecular FormulaC18H26N4O4S
Molecular Weight394.50 g/mol
Exact Mass394.17
IUPAC Name(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide
SMILESNC(=O)c1cccc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1
InChIInChI=1S/C18H26N4O4S/c19-17(23)13-5-3-8-15(11-13)20-18(24)22-10-4-9-16(12-22)27(25,26)21-14-6-1-2-7-14/h3,5,8,11,14,16,21H,1-2,4,6-7,9-10,12H2,(H2,19,23)(H,20,24)/t16-/m0/s1
InChIKeyHFNJEZXERMRBLV-INIZCTEOSA-N
XLogP1.64
TPSA121.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 51.64
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-(cyclopentylsulfamoyl)-N-(2,6-difluorophenyl)piperidine-1-carboxamide
CID 75476010
(3S)-3-(cyclopentylsulfamoyl)-N-[2-(dimethylamino)pyrimidin-5-yl]piperidine-1-carboxamide
CID 97348384
(3R)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348457
(3S)-1-[3-(cyanomethyl)benzoyl]-N-cyclopentylpiperidine-3-sulfonamide
CID 97348456
1-(2-chloropyridine-4-carbonyl)-N-cyclopentylpiperidine-3-sulfonamide
CID 75476198
(3S)-N-cyclopentyl-1-(pyridine-2-carbonyl)piperidine-3-sulfonamide
CID 97348588
N-[3-(cyclohexylcarbamoyl)phenyl]-4-(propan-2-ylsulfonylamino)piperidine-1-carboxamide
CID 20629792
(3R)-1-[(3-acetylphenyl)carbamoyl]piperidine-3-carboxylic acid
CID 28512783
(3R)-N-(3-cyclopentylsulfonylphenyl)-3-pyrrolidin-1-ylpiperidine-1-carboxamide
CID 52518848
(3-carbamoylphenyl)methyl 1-(phenylcarbamoyl)piperidine-3-carboxylate
CID 55634436
(3R)-N-cyclopentyl-1-(2,2-dimethylpropanoyl)piperidine-3-sulfonamide
CID 97348527
(3S)-N-cyclopentyl-1-(2-methylpropanoyl)piperidine-3-sulfonamide
CID 97348594

Frequently Asked Questions

What is the IUPAC name of (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide?
The IUPAC name of (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide (CID 97348320) is (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide?
The canonical SMILES for (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide is NC(=O)c1cccc(NC(=O)N2CCC[C@H](S(=O)(=O)NC3CCCC3)C2)c1.
What is the InChIKey of (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide?
The InChIKey is HFNJEZXERMRBLV-INIZCTEOSA-N. The full InChI is InChI=1S/C18H26N4O4S/c19-17(23)13-5-3-8-15(11-13)20-18(24)22-10-4-9-16(12-22)27(25,26)21-14-6-1-2-7-14/h3,5,8,11,14,16,21H,1-2,4,6-7,9-10,12H2,(H2,19,23)(H,20,24)/t16-/m0/s1.
What are the key properties of (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide?
(3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide has a molecular weight of 394.50 g/mol, XLogP of 1.64, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-(3-carbamoylphenyl)-3-(cyclopentylsulfamoyl)piperidine-1-carboxamide is sourced from PubChem (CID 97348320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).