N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane

C38H42N4O10S2 — CID 158137226

IUPACN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane
SMILESC.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O5S.C18H18N2O5S.CH4/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;1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);1H4
InChIKeyFTMIXWRLCDZRPV-UHFFFAOYSA-N
MW778.91 g/mol
LogP4.36
Rot. Bonds12

About N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane (PubChem CID 158137226) has the molecular formula C38H42N4O10S2 and a molecular weight of 778.91 g/mol. Its IUPAC name is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane.

Molecular Properties

Compound NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane
PubChem CID158137226
Molecular FormulaC38H42N4O10S2
Molecular Weight778.91 g/mol
Exact Mass778.23
IUPAC NameN-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane
SMILESC.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C19H20N2O5S.C18H18N2O5S.CH4/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;1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);1H4
InChIKeyFTMIXWRLCDZRPV-UHFFFAOYSA-N
XLogP4.36
TPSA203.14 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds12
Heavy Atoms54
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500778.91
LogP ≤ 54.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

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Related Compounds

N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;2-methoxy-N-[4-[(2-methoxyacetyl)amino]phenyl]sulfonylbenzamide
CID 69007321
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-(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-[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-bromocyclohexyl)-2-methoxy-5-methylbenzamide
CID 113274311
N-[2-[4-(cyclohexylcarbamoylsulfamoyl)phenyl]ethyl]-2-methoxy-5-methylbenzamide
CID 44567440
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-(2,6-difluorophenyl)-8-fluoro-5-methoxy-[1,2,4]triazolo[1,5-c]pyrimidine-2-sulfonamide
CID 68559099
2-methoxy-N-(4-propan-2-ylphenyl)sulfonylbenzamide
CID 174958314
2-methoxy-N-[4-[[4-[(2-methoxybenzoyl)amino]cyclohexyl]methyl]cyclohexyl]benzamide
CID 5173361
N-(4-bromocyclohexyl)-2-methoxybenzamide
CID 113274302
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217

Frequently Asked Questions

What is the IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane?
The IUPAC name of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane (CID 158137226) is N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane.
What is the SMILES notation for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane?
The canonical SMILES for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane is C.COc1ccc(C)cc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.COc1ccccc1C(=O)NS(=O)(=O)c1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane?
The InChIKey is FTMIXWRLCDZRPV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N2O5S.C18H18N2O5S.CH4/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;1-25-16-5-3-2-4-15(16)18(22)20-26(23,24)14-10-6-12(7-11-14)17(21)19-13-8-9-13;/h3-5,8-11,14H,6-7H2,1-2H3,(H,20,22)(H,21,23);2-7,10-11,13H,8-9H2,1H3,(H,19,21)(H,20,22);1H4.
What are the key properties of N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane?
N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane has a molecular weight of 778.91 g/mol, XLogP of 4.36, 12 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxybenzamide;N-[4-(cyclopropylcarbamoyl)phenyl]sulfonyl-2-methoxy-5-methylbenzamide;methane is sourced from PubChem (CID 158137226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).