N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

C20H21N3O6S3 — CID 37261170

IUPACN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H21N3O6S3/c1-29-19-12-15(8-9-18(19)23-31(2,25)26)22-20(24)14-5-3-7-17(11-14)32(27,28)21-13-16-6-4-10-30-16/h3-12,21,23H,13H2,1-2H3,(H,22,24)
InChIKeyZVGOCVMEKVAGGM-UHFFFAOYSA-N
MW495.60 g/mol
LogP2.86
Rot. Bonds9

About N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide

N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (PubChem CID 37261170) has the molecular formula C20H21N3O6S3 and a molecular weight of 495.60 g/mol. Its IUPAC name is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.

Molecular Properties

Compound NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
PubChem CID37261170
Molecular FormulaC20H21N3O6S3
Molecular Weight495.60 g/mol
Exact Mass495.06
IUPAC NameN-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
SMILESCOc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1NS(C)(=O)=O
InChIInChI=1S/C20H21N3O6S3/c1-29-19-12-15(8-9-18(19)23-31(2,25)26)22-20(24)14-5-3-7-17(11-14)32(27,28)21-13-16-6-4-10-30-16/h3-12,21,23H,13H2,1-2H3,(H,22,24)
InChIKeyZVGOCVMEKVAGGM-UHFFFAOYSA-N
XLogP2.86
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.60
LogP ≤ 52.86
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Related Compounds

N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-(3-cyclopentyloxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 38407060
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(methylsulfonylmethyl)benzamide
CID 55618945
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-(2-propyl-1,3-dihydroisoindol-5-yl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 47092673
N-(5-chloro-2-hydroxyphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 56581239
N-(3,4-dimethoxyphenyl)-3-(prop-2-enylsulfamoyl)benzamide
CID 26695042
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 31553898
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
[1-(4-methoxyanilino)-1-oxopropan-2-yl] 3-(thiophen-2-ylmethylsulfamoyl)benzoate
CID 55425233
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977

Frequently Asked Questions

What is the IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The IUPAC name of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide (CID 37261170) is N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide.
What is the SMILES notation for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The canonical SMILES for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is COc1cc(NC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)ccc1NS(C)(=O)=O.
What is the InChIKey of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
The InChIKey is ZVGOCVMEKVAGGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O6S3/c1-29-19-12-15(8-9-18(19)23-31(2,25)26)22-20(24)14-5-3-7-17(11-14)32(27,28)21-13-16-6-4-10-30-16/h3-12,21,23H,13H2,1-2H3,(H,22,24).
What are the key properties of N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide?
N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide has a molecular weight of 495.60 g/mol, XLogP of 2.86, 9 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(methanesulfonamido)-3-methoxyphenyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide is sourced from PubChem (CID 37261170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).