4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

C26H29N3O5S2 — CID 3982967

IUPAC4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C26H29N3O5S2/c1-19-8-4-5-9-24(19)28-35(31,32)25-18-21(11-10-20(25)2)26(30)27-22-12-14-23(15-13-22)36(33,34)29-16-6-3-7-17-29/h4-5,8-15,18,28H,3,6-7,16-17H2,1-2H3,(H,27,30)
InChIKeyMJWMRCPSHYMJKF-UHFFFAOYSA-N
MW527.67 g/mol
LogP4.53
Rot. Bonds7

About 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide

4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (PubChem CID 3982967) has the molecular formula C26H29N3O5S2 and a molecular weight of 527.67 g/mol. Its IUPAC name is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
PubChem CID3982967
Molecular FormulaC26H29N3O5S2
Molecular Weight527.67 g/mol
Exact Mass527.15
IUPAC Name4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
SMILESCc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C
InChIInChI=1S/C26H29N3O5S2/c1-19-8-4-5-9-24(19)28-35(31,32)25-18-21(11-10-20(25)2)26(30)27-22-12-14-23(15-13-22)36(33,34)29-16-6-3-7-17-29/h4-5,8-15,18,28H,3,6-7,16-17H2,1-2H3,(H,27,30)
InChIKeyMJWMRCPSHYMJKF-UHFFFAOYSA-N
XLogP4.53
TPSA112.65 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500527.67
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(2,3-dimethylphenyl)sulfamoyl]-4-methyl-N-(4-piperidin-1-ylsulfonylphenyl)benzamide
CID 3879264
N-[4-[(2,3-dichlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 126412405
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-3-[(2,3-dimethylphenyl)sulfamoyl]-4-methylbenzamide
CID 3692029
4-(azepan-1-ylsulfonyl)-N-(3,4-dimethylphenyl)benzamide
CID 2600312
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-(4-pyrrolidin-1-ylphenyl)benzamide
CID 100503088
N-[4-(azepan-1-ylsulfonyl)phenyl]-4-chloro-3-[(3,5-dimethylphenyl)sulfamoyl]benzamide
CID 4001092
4-chloro-3-[(2-methylphenyl)sulfamoyl]-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 126414116
N-(4-acetylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 3319153
3-[(2,3-dimethylphenyl)sulfamoyl]-N-[4-[(2,5-dimethylphenyl)sulfamoyl]phenyl]-4-methylbenzamide
CID 5131811
N-[4-[(2-chlorophenyl)sulfamoyl]phenyl]-4-methyl-3-[(3-methylphenyl)sulfamoyl]benzamide
CID 3484763
4-methyl-N-(3-methylphenyl)-3-[(2-methylphenyl)sulfamoyl]benzamide
CID 3443148
N-(4-carbamoylphenyl)-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 8885356

Frequently Asked Questions

What is the IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The IUPAC name of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide (CID 3982967) is 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide.
What is the SMILES notation for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The canonical SMILES for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is Cc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(S(=O)(=O)N3CCCCC3)cc2)ccc1C.
What is the InChIKey of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
The InChIKey is MJWMRCPSHYMJKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N3O5S2/c1-19-8-4-5-9-24(19)28-35(31,32)25-18-21(11-10-20(25)2)26(30)27-22-12-14-23(15-13-22)36(33,34)29-16-6-3-7-17-29/h4-5,8-15,18,28H,3,6-7,16-17H2,1-2H3,(H,27,30).
What are the key properties of 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide?
4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide has a molecular weight of 527.67 g/mol, XLogP of 4.53, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-methylphenyl)sulfamoyl]-N-(4-piperidin-1-ylsulfonylphenyl)benzamide is sourced from PubChem (CID 3982967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).