N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide

C19H24N2O3S2 — CID 8623651

IUPACN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-4-5-14-21(2)26(23,24)18-12-8-16(9-13-18)20-19(22)15-6-10-17(25-3)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyAUCUHDGZMQNOQT-UHFFFAOYSA-N
MW392.55 g/mol
LogP4.08
Rot. Bonds8

About N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide

N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide (PubChem CID 8623651) has the molecular formula C19H24N2O3S2 and a molecular weight of 392.55 g/mol. Its IUPAC name is N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide.

Molecular Properties

Compound NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
PubChem CID8623651
Molecular FormulaC19H24N2O3S2
Molecular Weight392.55 g/mol
Exact Mass392.12
IUPAC NameN-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide
SMILESCCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1
InChIInChI=1S/C19H24N2O3S2/c1-4-5-14-21(2)26(23,24)18-12-8-16(9-13-18)20-19(22)15-6-10-17(25-3)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,20,22)
InChIKeyAUCUHDGZMQNOQT-UHFFFAOYSA-N
XLogP4.08
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.55
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[butyl(methyl)sulfamoyl]-N-[5-[(4-methylsulfanylphenyl)methyl]-1,3,4-oxadiazol-2-yl]benzamide
CID 43974066
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3,4-dimethoxybenzamide
CID 9218315
N-[4-[butyl(methyl)sulfamoyl]phenyl]-3-methylbenzamide
CID 7948731
N-(3-acetylphenyl)-4-[butyl(methyl)sulfamoyl]benzamide
CID 109061485
N-[4-[butyl(methyl)sulfamoyl]phenyl]-2,3-dihydro-1H-indene-5-carboxamide
CID 9011474
N-[4-[butyl(methyl)sulfamoyl]phenyl]-5,6-dichloropyridine-3-carboxamide
CID 7733390
4-(ethylsulfamoyl)-N-(4-methylsulfanylphenyl)benzamide
CID 9179911
N-ethyl-4-[4-[(4-fluorophenyl)sulfonyl-methylamino]butanoylamino]benzamide
CID 55802134
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methoxy-3-nitrobenzamide
CID 7948730
N-[4-(dibutylsulfamoyl)phenyl]-4-methoxybenzamide
CID 4190675
4-[butyl(methyl)sulfamoyl]-N-(2-methylpropyl)benzamide
CID 109058845
N-[4-(butylamino)phenyl]-4-(dimethylsulfamoyl)benzamide
CID 112980242

Frequently Asked Questions

What is the IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide?
The IUPAC name of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide (CID 8623651) is N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide.
What is the SMILES notation for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide?
The canonical SMILES for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide is CCCCN(C)S(=O)(=O)c1ccc(NC(=O)c2ccc(SC)cc2)cc1.
What is the InChIKey of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide?
The InChIKey is AUCUHDGZMQNOQT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N2O3S2/c1-4-5-14-21(2)26(23,24)18-12-8-16(9-13-18)20-19(22)15-6-10-17(25-3)11-7-15/h6-13H,4-5,14H2,1-3H3,(H,20,22).
What are the key properties of N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide?
N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide has a molecular weight of 392.55 g/mol, XLogP of 4.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[butyl(methyl)sulfamoyl]phenyl]-4-methylsulfanylbenzamide is sourced from PubChem (CID 8623651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).