N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide

C36H38N4O11S2 — CID 69007321

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2OC)cc1.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O5S.C17H18N2O6S/c1-12-3-10-17(26-2)16(11-12)19(23)21-27(24,25)15-8-4-13(5-9-15)18(22)20-14-6-7-14;1-24-11-16(20)18-12-7-9-13(10-8-12)26(22,23)19-17(21)14-5-3-4-6-15(14)25-2/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySXRSQMNNWLUFPY-UHFFFAOYSA-N
MW766.85 g/mol
LogP3.41
Rot. Bonds13

About N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide (PubChem CID 69007321) has the molecular formula C36H38N4O11S2 and a molecular weight of 766.85 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
PubChem CID69007321
Molecular FormulaC36H38N4O11S2
Molecular Weight766.85 g/mol
Exact Mass766.20
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
SMILESCOCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2OC)cc1.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O5S.C17H18N2O6S/c1-12-3-10-17(26-2)16(11-12)19(23)21-27(24,25)15-8-4-13(5-9-15)18(22)20-14-6-7-14;1-24-11-16(20)18-12-7-9-13(10-8-12)26(22,23)19-17(21)14-5-3-4-6-15(14)25-2/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);3-10H,11H2,1-2H3,(H,18,20)(H,19,21)
InChIKeySXRSQMNNWLUFPY-UHFFFAOYSA-N
XLogP3.41
TPSA212.37 Ų
H-Bond Donors4
H-Bond Acceptors11
Rotatable Bonds13
Heavy Atoms53
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500766.85
LogP ≤ 53.41
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1011

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane
CID 158137226
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;3,4-dimethyl-2,6-dinitro-N-pentan-3-ylaniline
CID 87494709
2-methoxy-N-[4-[(2-methoxybenzoyl)amino]cyclohexyl]benzamide
CID 1235931
N-[4-(acetylsulfamoyl)phenyl]-2-methoxybenzamide
CID 803307
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[2,4-dichloro-5-[4-(difluoromethyl)-3-methyl-5-oxo-1,2,4-triazol-1-yl]phenyl]methanesulfonamide
CID 68554872
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
2-methoxy-N-[3-[(2-methoxyacetyl)amino]phenyl]benzamide
CID 38397232
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
2-methoxy-N-[2-methoxy-4-[(4-methylphenyl)sulfonylamino]phenyl]acetamide
CID 169370245
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;2-(4-methyl-5-oxo-4-propan-2-yl-1H-imidazol-2-yl)quinoline-3-carboxylic acid
CID 68555021
N-[4-(cyclohexylsulfamoyl)phenyl]-2-(2-methoxyphenoxy)acetamide
CID 4627504
N-(4-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide (CID 69007321) is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide is COCC(=O)Nc1ccc(S(=O)(=O)NC(=O)c2ccccc2OC)cc1.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide?
The InChIKey is SXRSQMNNWLUFPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S.C17H18N2O6S/c1-12-3-10-17(26-2)16(11-12)19(23)21-27(24,25)15-8-4-13(5-9-15)18(22)20-14-6-7-14;1-24-11-16(20)18-12-7-9-13(10-8-12)26(22,23)19-17(21)14-5-3-4-6-15(14)25-2/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);3-10H,11H2,1-2H3,(H,18,20)(H,19,21).
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide?
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide has a molecular weight of 766.85 g/mol, XLogP of 3.41, 13 rotatable bonds, 4 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide is sourced from PubChem (CID 69007321), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).