3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

C25H28N2O5S — CID 55945307

IUPAC3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2C)ccc1C
InChIInChI=1S/C25H28N2O5S/c1-16(2)32-20-12-13-21(18(4)14-20)26-25(28)19-11-10-17(3)24(15-19)33(29,30)27-22-8-6-7-9-23(22)31-5/h6-16,27H,1-5H3,(H,26,28)
InChIKeyKFOMNJKEMHXZOB-UHFFFAOYSA-N
MW468.58 g/mol
LogP5.15
Rot. Bonds8

About 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide

3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (PubChem CID 55945307) has the molecular formula C25H28N2O5S and a molecular weight of 468.58 g/mol. Its IUPAC name is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.

Molecular Properties

Compound Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
PubChem CID55945307
Molecular FormulaC25H28N2O5S
Molecular Weight468.58 g/mol
Exact Mass468.17
IUPAC Name3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide
SMILESCOc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2C)ccc1C
InChIInChI=1S/C25H28N2O5S/c1-16(2)32-20-12-13-21(18(4)14-20)26-25(28)19-11-10-17(3)24(15-19)33(29,30)27-22-8-6-7-9-23(22)31-5/h6-16,27H,1-5H3,(H,26,28)
InChIKeyKFOMNJKEMHXZOB-UHFFFAOYSA-N
XLogP5.15
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.58
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2,3-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 2687808
3-[[3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzoyl]amino]benzoic acid
CID 1081903
N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]-4-methylbenzamide
CID 71904027
N-(5-chloro-2-hydroxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 56581281
4-(difluoromethoxy)-3-methoxy-N-[3-[(2-methoxyphenyl)sulfamoyl]-4-methylphenyl]benzamide
CID 26644330
4-chloro-N-(2,4-dimethylphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 26538705
N-cyclopropyl-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 7908217
N-(3,4-diethoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 26878789
N-[6-(dimethylamino)-3-pyridinyl]-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 30295673
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-quinolin-2-ylbenzamide
CID 55376485
4-chloro-N-(2-methoxyphenyl)-3-[(2-methoxyphenyl)sulfamoyl]benzamide
CID 46525468
N-(1-adamantyl)-3-[(2-methoxyphenyl)sulfamoyl]-4-methylbenzamide
CID 3257461

Frequently Asked Questions

What is the IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The IUPAC name of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide (CID 55945307) is 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide.
What is the SMILES notation for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The canonical SMILES for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide is COc1ccccc1NS(=O)(=O)c1cc(C(=O)Nc2ccc(OC(C)C)cc2C)ccc1C.
What is the InChIKey of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
The InChIKey is KFOMNJKEMHXZOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H28N2O5S/c1-16(2)32-20-12-13-21(18(4)14-20)26-25(28)19-11-10-17(3)24(15-19)33(29,30)27-22-8-6-7-9-23(22)31-5/h6-16,27H,1-5H3,(H,26,28).
What are the key properties of 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide?
3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide has a molecular weight of 468.58 g/mol, XLogP of 5.15, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(2-methoxyphenyl)sulfamoyl]-4-methyl-N-(2-methyl-4-propan-2-yloxyphenyl)benzamide is sourced from PubChem (CID 55945307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).