N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

C29H29N3O6S2 — CID 19062466

IUPACN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3C)cc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-4-38-24-14-10-23(11-15-24)31-39(34,35)26-18-12-22(13-19-26)30-29(33)27-6-5-7-28(21(27)3)32-40(36,37)25-16-8-20(2)9-17-25/h5-19,31-32H,4H2,1-3H3,(H,30,33)
InChIKeyHRSFYUPQTJBEOJ-UHFFFAOYSA-N
MW579.70 g/mol
LogP5.56
Rot. Bonds10

About N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide

N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (PubChem CID 19062466) has the molecular formula C29H29N3O6S2 and a molecular weight of 579.70 g/mol. Its IUPAC name is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.

Molecular Properties

Compound NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
PubChem CID19062466
Molecular FormulaC29H29N3O6S2
Molecular Weight579.70 g/mol
Exact Mass579.15
IUPAC NameN-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
SMILESCCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3C)cc2)cc1
InChIInChI=1S/C29H29N3O6S2/c1-4-38-24-14-10-23(11-15-24)31-39(34,35)26-18-12-22(13-19-26)30-29(33)27-6-5-7-28(21(27)3)32-40(36,37)25-16-8-20(2)9-17-25/h5-19,31-32H,4H2,1-3H3,(H,30,33)
InChIKeyHRSFYUPQTJBEOJ-UHFFFAOYSA-N
XLogP5.56
TPSA130.67 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.70
LogP ≤ 55.56
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 3-[(4-ethoxyphenyl)sulfonylamino]-2-methylbenzoate
CID 894262
N-(4-bromophenyl)-2-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 2332106
4-ethoxy-N-(4-methylphenyl)benzenesulfonamide
CID 925010
3-chloro-N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 43909558
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-nitrobenzamide
CID 1324756
N-(2,3-dimethylphenyl)-4-[(4-ethoxyphenyl)sulfonylamino]benzamide
CID 26538532
2-methyl-3-[(4-methylphenyl)sulfonylamino]-N-(4-piperidin-1-ylphenyl)benzamide
CID 100512380
4-ethoxy-N-[4-(phenylsulfamoyl)phenyl]benzamide
CID 4948543
4-[(4-ethoxyphenyl)sulfamoyl]-N-(3-methylphenyl)benzamide
CID 26537872
N-(2,6-dimethylphenyl)-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide
CID 19062451
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-(4-methylphenoxy)butanamide
CID 21173979
ethyl N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]carbamate
CID 17147479

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The IUPAC name of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide (CID 19062466) is N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide.
What is the SMILES notation for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The canonical SMILES for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is CCOc1ccc(NS(=O)(=O)c2ccc(NC(=O)c3cccc(NS(=O)(=O)c4ccc(C)cc4)c3C)cc2)cc1.
What is the InChIKey of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
The InChIKey is HRSFYUPQTJBEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H29N3O6S2/c1-4-38-24-14-10-23(11-15-24)31-39(34,35)26-18-12-22(13-19-26)30-29(33)27-6-5-7-28(21(27)3)32-40(36,37)25-16-8-20(2)9-17-25/h5-19,31-32H,4H2,1-3H3,(H,30,33).
What are the key properties of N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide?
N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide has a molecular weight of 579.70 g/mol, XLogP of 5.56, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-ethoxyphenyl)sulfamoyl]phenyl]-2-methyl-3-[(4-methylphenyl)sulfonylamino]benzamide is sourced from PubChem (CID 19062466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).