4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide

C23H24N2O5S2 — CID 24639800

IUPAC4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cc(C)sc3C)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-15-13-21(16(2)31-15)22(26)11-12-23(27)24-18-5-4-6-20(14-18)32(28,29)25-17-7-9-19(30-3)10-8-17/h4-10,13-14,25H,11-12H2,1-3H3,(H,24,27)
InChIKeyMSOOLTLJTCQZOO-UHFFFAOYSA-N
MW472.59 g/mol
LogP4.78
Rot. Bonds9

About 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide

4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide (PubChem CID 24639800) has the molecular formula C23H24N2O5S2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide.

Molecular Properties

Compound Name4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
PubChem CID24639800
Molecular FormulaC23H24N2O5S2
Molecular Weight472.59 g/mol
Exact Mass472.11
IUPAC Name4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cc(C)sc3C)c2)cc1
InChIInChI=1S/C23H24N2O5S2/c1-15-13-21(16(2)31-15)22(26)11-12-23(27)24-18-5-4-6-20(14-18)32(28,29)25-17-7-9-19(30-3)10-8-17/h4-10,13-14,25H,11-12H2,1-3H3,(H,24,27)
InChIKeyMSOOLTLJTCQZOO-UHFFFAOYSA-N
XLogP4.78
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 54.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide with MolForge

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Related Compounds

4-(4-chlorophenyl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide
CID 3595670
2-(carbamoylamino)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 18168699
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-(2-methylphenoxy)propanamide
CID 24639796
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3,3-dimethylbutanamide
CID 38765461
N-(3,5-dimethoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 17426438
ethyl N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]carbamate
CID 7908123
methyl 3-[[4-(2,5-dimethylthiophen-3-yl)-4-oxobutanoyl]amino]benzoate
CID 26886717
2-cyclopentyl-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]acetamide
CID 9414196
N-(3-chloro-4-methoxyphenyl)-4-(2,5-dimethylthiophen-3-yl)-4-oxobutanamide
CID 2469868
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]benzamide
CID 4213453
1-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-3-propylurea
CID 4803273
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The IUPAC name of 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide (CID 24639800) is 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide.
What is the SMILES notation for 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The canonical SMILES for 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cc(C)sc3C)c2)cc1.
What is the InChIKey of 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
The InChIKey is MSOOLTLJTCQZOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N2O5S2/c1-15-13-21(16(2)31-15)22(26)11-12-23(27)24-18-5-4-6-20(14-18)32(28,29)25-17-7-9-19(30-3)10-8-17/h4-10,13-14,25H,11-12H2,1-3H3,(H,24,27).
What are the key properties of 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide?
4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide has a molecular weight of 472.59 g/mol, XLogP of 4.78, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dimethylthiophen-3-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxobutanamide is sourced from PubChem (CID 24639800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).