N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide

C16H25N3O3S — CID 97340029

IUPACN-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NS(=O)(=O)N1CC[C@H](C)C1
InChIInChI=1S/C16H25N3O3S/c1-12(2)10-17-16(20)14-6-4-5-7-15(14)18-23(21,22)19-9-8-13(3)11-19/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyMZCIEWIYUFCLSY-ZDUSSCGKSA-N
MW339.46 g/mol
LogP2.07
Rot. Bonds6

About N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide

N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide (PubChem CID 97340029) has the molecular formula C16H25N3O3S and a molecular weight of 339.46 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide
PubChem CID97340029
Molecular FormulaC16H25N3O3S
Molecular Weight339.46 g/mol
Exact Mass339.16
IUPAC NameN-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide
SMILESCC(C)CNC(=O)c1ccccc1NS(=O)(=O)N1CC[C@H](C)C1
InChIInChI=1S/C16H25N3O3S/c1-12(2)10-17-16(20)14-6-4-5-7-15(14)18-23(21,22)19-9-8-13(3)11-19/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,20)/t13-/m0/s1
InChIKeyMZCIEWIYUFCLSY-ZDUSSCGKSA-N
XLogP2.07
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 52.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(ethylsulfonylamino)-N-(2-methylpropyl)benzamide
CID 47111066
N-(2-methylpropyl)-2-(propylsulfonylamino)benzamide
CID 47104367
N-[2-(2-methylpropylcarbamoyl)phenyl]-1-(4-propan-2-ylphenyl)sulfonylpiperidine-4-carboxamide
CID 34727869
2-[(4-methylpiperidin-1-yl)sulfonylamino]benzenecarbothioamide
CID 28509217
2-[(4-acetylphenyl)sulfonylamino]-N-(2-methylpropyl)benzamide
CID 18082666
4-(3-methylpiperidin-1-yl)sulfonyl-N-(2-methylpropyl)benzamide
CID 109058847
1-(dimethylsulfamoyl)-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132984866
2-methyl-3-[(3-methylpiperidin-1-yl)sulfonylamino]benzoic acid
CID 62946764
1-methyl-N-[2-(2-methylpropylcarbamoyl)phenyl]piperidine-3-carboxamide
CID 132650704
(2R)-2-[(3-methylpyrrolidin-1-yl)sulfonylamino]-2-phenylacetic acid
CID 122069433
2-(cyclohex-3-ene-1-carbonylamino)-N-(2-methylpropyl)benzamide
CID 51230497
2-[(2,2-diphenylacetyl)amino]-N-(2-methylpropyl)benzamide
CID 1369721

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide?
The IUPAC name of N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide (CID 97340029) is N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide.
What is the SMILES notation for N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide?
The canonical SMILES for N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide is CC(C)CNC(=O)c1ccccc1NS(=O)(=O)N1CC[C@H](C)C1.
What is the InChIKey of N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide?
The InChIKey is MZCIEWIYUFCLSY-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H25N3O3S/c1-12(2)10-17-16(20)14-6-4-5-7-15(14)18-23(21,22)19-9-8-13(3)11-19/h4-7,12-13,18H,8-11H2,1-3H3,(H,17,20)/t13-/m0/s1.
What are the key properties of N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide?
N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide has a molecular weight of 339.46 g/mol, XLogP of 2.07, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-[[(3S)-3-methylpyrrolidin-1-yl]sulfonylamino]benzamide is sourced from PubChem (CID 97340029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).