N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide

C23H24N2O3S2 — CID 46402431

IUPACN-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-17-5-13-22(14-6-17)30(27,28)24(2)19-9-7-18(8-10-19)23(26)25(20-11-12-20)16-21-4-3-15-29-21/h3-10,13-15,20H,11-12,16H2,1-2H3
InChIKeyCBQSHEXKPHYZQW-UHFFFAOYSA-N
MW440.59 g/mol
LogP4.69
Rot. Bonds7

About N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide

N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 46402431) has the molecular formula C23H24N2O3S2 and a molecular weight of 440.59 g/mol. Its IUPAC name is N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
PubChem CID46402431
Molecular FormulaC23H24N2O3S2
Molecular Weight440.59 g/mol
Exact Mass440.12
IUPAC NameN-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide
SMILESCc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)cc1
InChIInChI=1S/C23H24N2O3S2/c1-17-5-13-22(14-6-17)30(27,28)24(2)19-9-7-18(8-10-19)23(26)25(20-11-12-20)16-21-4-3-15-29-21/h3-10,13-15,20H,11-12,16H2,1-2H3
InChIKeyCBQSHEXKPHYZQW-UHFFFAOYSA-N
XLogP4.69
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.59
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopropyl-N-[(4-fluorophenyl)methyl]-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 47009631
N-[(2-chloro-6-fluorophenyl)methyl]-N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]benzamide
CID 16606779
N-cyclopropyl-4-methyl-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 47158476
N-cyclopropyl-4-fluoro-N-(thiophen-2-ylmethyl)benzamide
CID 47024128
3-[methyl-(4-methylphenyl)sulfamoyl]-N-(thiophen-2-ylmethyl)benzamide
CID 7751591
N-cyclopropyl-4-methyl-3-pyrrol-1-yl-N-(thiophen-2-ylmethyl)benzamide
CID 37484000
N-cyclopropyl-3-sulfanyl-N-(thiophen-2-ylmethyl)benzamide
CID 107024795
3-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 51889465
N-cyclohexyl-N-ethyl-4-[methyl(phenyl)sulfamoyl]benzamide
CID 24632491
3-amino-4-bromo-N-cyclopropyl-N-(thiophen-2-ylmethyl)benzamide
CID 61107791
N-cyclopropyl-1-methyl-6-oxo-N-(thiophen-2-ylmethyl)pyridine-3-carboxamide
CID 75461213
N-cyclopropyl-N-[(4-methylphenyl)methyl]-4-methylsulfonylbenzamide
CID 32589766

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide (CID 46402431) is N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide is Cc1ccc(S(=O)(=O)N(C)c2ccc(C(=O)N(Cc3cccs3)C3CC3)cc2)cc1.
What is the InChIKey of N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is CBQSHEXKPHYZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O3S2/c1-17-5-13-22(14-6-17)30(27,28)24(2)19-9-7-18(8-10-19)23(26)25(20-11-12-20)16-21-4-3-15-29-21/h3-10,13-15,20H,11-12,16H2,1-2H3.
What are the key properties of N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide?
N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 440.59 g/mol, XLogP of 4.69, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[methyl-(4-methylphenyl)sulfonylamino]-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 46402431), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).