N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

C22H28N2O3S2 — CID 32559097

IUPACN-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1
InChIInChI=1S/C22H28N2O3S2/c1-16(2)24(3)29(26,27)19-12-8-9-17(15-19)22(25)23-20-13-6-7-14-21(20)28-18-10-4-5-11-18/h6-9,12-16,18H,4-5,10-11H2,1-3H3,(H,23,25)
InChIKeyPWEBMNYYCGRHBH-UHFFFAOYSA-N
MW432.61 g/mol
LogP5.00
Rot. Bonds7

About N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide

N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (PubChem CID 32559097) has the molecular formula C22H28N2O3S2 and a molecular weight of 432.61 g/mol. Its IUPAC name is N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.

Molecular Properties

Compound NameN-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
PubChem CID32559097
Molecular FormulaC22H28N2O3S2
Molecular Weight432.61 g/mol
Exact Mass432.15
IUPAC NameN-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
SMILESCC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1
InChIInChI=1S/C22H28N2O3S2/c1-16(2)24(3)29(26,27)19-12-8-9-17(15-19)22(25)23-20-13-6-7-14-21(20)28-18-10-4-5-11-18/h6-9,12-16,18H,4-5,10-11H2,1-3H3,(H,23,25)
InChIKeyPWEBMNYYCGRHBH-UHFFFAOYSA-N
XLogP5.00
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.61
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-ethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 8839459
3-[methyl(propan-2-yl)sulfamoyl]-N-quinolin-8-ylbenzamide
CID 26123442
N-(3,5-dimethylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26696266
N-[(4S)-3,4-dihydro-2H-chromen-4-yl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 35826280
N-(2-cyclopentylsulfanylphenyl)pyridine-3-carboxamide
CID 31915721
N-(2-methylsulfanylphenyl)-3-(propan-2-ylsulfamoyl)benzamide
CID 46689087
3-[methyl(propan-2-yl)sulfamoyl]-N-piperidin-4-ylbenzamide
CID 119388175
N-(2-cyclopentylsulfanylphenyl)-3-fluoro-4-methoxybenzamide
CID 31915342
N-(2-amino-1-cyclohexylethyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide;hydrochloride
CID 119590640
3-(dimethylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 2221549
3-(diethylsulfamoyl)-N-[2-(difluoromethylsulfanyl)phenyl]benzamide
CID 8911034
N-[4-(difluoromethylsulfanyl)phenyl]-3-[methyl(propan-2-yl)sulfamoyl]benzamide
CID 26499284

Frequently Asked Questions

What is the IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The IUPAC name of N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide (CID 32559097) is N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide.
What is the SMILES notation for N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The canonical SMILES for N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is CC(C)N(C)S(=O)(=O)c1cccc(C(=O)Nc2ccccc2SC2CCCC2)c1.
What is the InChIKey of N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
The InChIKey is PWEBMNYYCGRHBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N2O3S2/c1-16(2)24(3)29(26,27)19-12-8-9-17(15-19)22(25)23-20-13-6-7-14-21(20)28-18-10-4-5-11-18/h6-9,12-16,18H,4-5,10-11H2,1-3H3,(H,23,25).
What are the key properties of N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide?
N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide has a molecular weight of 432.61 g/mol, XLogP of 5.00, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-cyclopentylsulfanylphenyl)-3-[methyl(propan-2-yl)sulfamoyl]benzamide is sourced from PubChem (CID 32559097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).