N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide

C21H19N3O3S — CID 3477957

IUPACN-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-15-7-9-17(10-8-15)21(26)24-28(27)23-19-13-11-18(12-14-19)22-20(25)16-5-3-2-4-6-16/h2-14,23H,1H3,(H,22,25)(H,24,26)
InChIKeyMABLENRTHWMZLL-UHFFFAOYSA-N
MW393.47 g/mol
LogP3.67
Rot. Bonds6

About N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide

N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide (PubChem CID 3477957) has the molecular formula C21H19N3O3S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide.

Molecular Properties

Compound NameN-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
PubChem CID3477957
Molecular FormulaC21H19N3O3S
Molecular Weight393.47 g/mol
Exact Mass393.11
IUPAC NameN-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide
SMILESCc1ccc(C(=O)NS(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1
InChIInChI=1S/C21H19N3O3S/c1-15-7-9-17(10-8-15)21(26)24-28(27)23-19-13-11-18(12-14-19)22-20(25)16-5-3-2-4-6-16/h2-14,23H,1H3,(H,22,25)(H,24,26)
InChIKeyMABLENRTHWMZLL-UHFFFAOYSA-N
XLogP3.67
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-[4-[(4-methylbenzoyl)sulfinamoylamino]phenyl]furan-3-carboxamide
CID 40644802
4-[(4-methylphenyl)carbamoylamino]-N-phenylbenzamide
CID 143832330
1-(phenylcarbamoyl)-4-(sulfinoamino)benzene
CID 19977257
N-[4-(1,3-benzoxazol-2-yl)phenyl]sulfinamoyl-4-methylbenzamide
CID 171987601
N-[4-[(4-acetamidophenyl)carbamoyl]phenyl]-4-methylbenzamide
CID 2223178
N-(4-methylphenyl)-4-[2-[4-[(4-methylphenyl)carbamoyl]phenyl]hydrazinyl]benzamide
CID 139337158
(4-benzamidophenyl)carbamic acid
CID 18543096
N-[4-(4-phenylphenyl)phenyl]benzamide
CID 59742294
N-[4-[[(4-methylphenyl)sulfonylamino]carbamoyl]phenyl]benzamide
CID 3293465
N-(4-anilinophenyl)-4-benzamidobenzamide
CID 52560314
3-bromo-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 2844876
2-fluoro-N-[4-[(4-methylbenzoyl)amino]phenyl]benzamide
CID 577368

Frequently Asked Questions

What is the IUPAC name of N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide?
The IUPAC name of N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide (CID 3477957) is N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide.
What is the SMILES notation for N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide?
The canonical SMILES for N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide is Cc1ccc(C(=O)NS(=O)Nc2ccc(NC(=O)c3ccccc3)cc2)cc1.
What is the InChIKey of N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide?
The InChIKey is MABLENRTHWMZLL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O3S/c1-15-7-9-17(10-8-15)21(26)24-28(27)23-19-13-11-18(12-14-19)22-20(25)16-5-3-2-4-6-16/h2-14,23H,1H3,(H,22,25)(H,24,26).
What are the key properties of N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide?
N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide has a molecular weight of 393.47 g/mol, XLogP of 3.67, 6 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-benzamidophenyl)sulfinamoyl-4-methylbenzamide is sourced from PubChem (CID 3477957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).