4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

C23H26N2O4S2 — CID 46613291

IUPAC4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NC(c2cccs2)C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15(2)22(20-6-5-13-30-20)24-23(26)17-9-12-19(29-4)21(14-17)31(27,28)25-18-10-7-16(3)8-11-18/h5-15,22,25H,1-4H3,(H,24,26)
InChIKeyJVVMPLDSNHZBAN-UHFFFAOYSA-N
MW458.61 g/mol
LogP4.99
Rot. Bonds8

About 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide

4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (PubChem CID 46613291) has the molecular formula C23H26N2O4S2 and a molecular weight of 458.61 g/mol. Its IUPAC name is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.

Molecular Properties

Compound Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
PubChem CID46613291
Molecular FormulaC23H26N2O4S2
Molecular Weight458.61 g/mol
Exact Mass458.13
IUPAC Name4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
SMILESCOc1ccc(C(=O)NC(c2cccs2)C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1
InChIInChI=1S/C23H26N2O4S2/c1-15(2)22(20-6-5-13-30-20)24-23(26)17-9-12-19(29-4)21(14-17)31(27,28)25-18-10-7-16(3)8-11-18/h5-15,22,25H,1-4H3,(H,24,26)
InChIKeyJVVMPLDSNHZBAN-UHFFFAOYSA-N
XLogP4.99
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.61
LogP ≤ 54.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(4-bromophenyl)sulfamoyl]-4-methoxy-N-(3-methylbutan-2-yl)benzamide
CID 43016571
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-[2-oxo-2-(propan-2-ylamino)ethyl]benzamide
CID 9300536
4-chloro-N-[1-(3,4-dimethoxyphenyl)ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 132617871
5-[[(2-hydroxybenzoyl)amino]carbamoyl]-2-methoxy-N-(4-methylphenyl)benzenesulfonamide
CID 55370417
N-[1-(2,4-dimethylphenyl)-2-methylpropyl]-4-(thiophen-2-ylsulfonylamino)benzamide
CID 132672589
4-[(3,4-difluorophenyl)sulfonylamino]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide
CID 46613275
N-(furan-2-ylmethyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9314217
4-methoxy-N-[2-[(4-methoxybenzoyl)amino]ethyl]-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 55960480
methyl (2S)-2-[[3-[(4-bromophenyl)sulfamoyl]-4-methoxybenzoyl]amino]propanoate
CID 25342326
N-cyclopentyl-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 9164185
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(pyridin-2-ylmethyl)benzamide
CID 9414541
N-(5-chloro-2-methoxyphenyl)-4-methoxy-3-[(4-methylphenyl)sulfamoyl]benzamide
CID 26582501

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The IUPAC name of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide (CID 46613291) is 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide.
What is the SMILES notation for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The canonical SMILES for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is COc1ccc(C(=O)NC(c2cccs2)C(C)C)cc1S(=O)(=O)Nc1ccc(C)cc1.
What is the InChIKey of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
The InChIKey is JVVMPLDSNHZBAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O4S2/c1-15(2)22(20-6-5-13-30-20)24-23(26)17-9-12-19(29-4)21(14-17)31(27,28)25-18-10-7-16(3)8-11-18/h5-15,22,25H,1-4H3,(H,24,26).
What are the key properties of 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide?
4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide has a molecular weight of 458.61 g/mol, XLogP of 4.99, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-3-[(4-methylphenyl)sulfamoyl]-N-(2-methyl-1-thiophen-2-ylpropyl)benzamide is sourced from PubChem (CID 46613291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).