3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

C23H23ClN2O4S2 — CID 55599647

IUPAC3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-30-21-11-6-17(23(27)26(19-9-10-19)15-20-3-2-12-31-20)13-22(21)32(28,29)25-14-16-4-7-18(24)8-5-16/h2-8,11-13,19,25H,9-10,14-15H2,1H3
InChIKeyRARDYVJRGSDSAF-UHFFFAOYSA-N
MW491.03 g/mol
LogP4.69
Rot. Bonds9

About 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide

3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (PubChem CID 55599647) has the molecular formula C23H23ClN2O4S2 and a molecular weight of 491.03 g/mol. Its IUPAC name is 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.

Molecular Properties

Compound Name3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
PubChem CID55599647
Molecular FormulaC23H23ClN2O4S2
Molecular Weight491.03 g/mol
Exact Mass490.08
IUPAC Name3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
SMILESCOc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C23H23ClN2O4S2/c1-30-21-11-6-17(23(27)26(19-9-10-19)15-20-3-2-12-31-20)13-22(21)32(28,29)25-14-16-4-7-18(24)8-5-16/h2-8,11-13,19,25H,9-10,14-15H2,1H3
InChIKeyRARDYVJRGSDSAF-UHFFFAOYSA-N
XLogP4.69
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.03
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide
CID 61106307
4-methoxy-3-(thiophen-2-ylmethylsulfamoyl)benzoic acid
CID 43242507
3-[(4-chlorophenyl)methylsulfamoyl]-N-ethyl-N-[(3-fluorophenyl)methyl]-4-methoxybenzamide
CID 55438061
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-methyl-N-(4-methylpentan-2-yl)benzamide
CID 55584298
N-[(2-chlorophenyl)methyl]-3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxybenzamide
CID 55348399
4-methoxy-N-methyl-3-(propan-2-ylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 18170668
3-[(4-chlorophenyl)methylsulfamoyl]-N-[(3-fluoro-4-methoxyphenyl)methyl]-4-methoxybenzamide
CID 55677845
3-[(4-chlorophenyl)methylsulfamoyl]-4-methoxy-N-(1-propan-2-ylpiperidin-4-yl)benzamide
CID 55387001
3-(tert-butylsulfamoyl)-4-methoxy-N-(oxolan-2-ylmethyl)-N-(thiophen-2-ylmethyl)benzamide
CID 55389080
N-cyclopropyl-3,4-dipropoxy-N-(thiophen-2-ylmethyl)benzamide
CID 55581078
3-[(4-chlorophenyl)methylsulfamoyl]-N-(imidazo[2,1-b][1,3]thiazol-6-ylmethyl)-4-methoxybenzamide
CID 55585722
5-ethyl-2-methoxy-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 9267842

Frequently Asked Questions

What is the IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The IUPAC name of 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide (CID 55599647) is 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide.
What is the SMILES notation for 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The canonical SMILES for 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is COc1ccc(C(=O)N(Cc2cccs2)C2CC2)cc1S(=O)(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
The InChIKey is RARDYVJRGSDSAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN2O4S2/c1-30-21-11-6-17(23(27)26(19-9-10-19)15-20-3-2-12-31-20)13-22(21)32(28,29)25-14-16-4-7-18(24)8-5-16/h2-8,11-13,19,25H,9-10,14-15H2,1H3.
What are the key properties of 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide?
3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide has a molecular weight of 491.03 g/mol, XLogP of 4.69, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-chlorophenyl)methylsulfamoyl]-N-cyclopropyl-4-methoxy-N-(thiophen-2-ylmethyl)benzamide is sourced from PubChem (CID 55599647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).