N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide

C21H19ClN2O5S2 — CID 3425678

IUPACN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-10-8-14(23-21(26)11-9-17(25)19-7-4-12-30-19)13-20(18)31(27,28)24-16-6-3-2-5-15(16)22/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,26)
InChIKeyQCGPRAFFLKMLQO-UHFFFAOYSA-N
MW478.98 g/mol
LogP4.81
Rot. Bonds9

About N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide

N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 3425678) has the molecular formula C21H19ClN2O5S2 and a molecular weight of 478.98 g/mol. Its IUPAC name is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID3425678
Molecular FormulaC21H19ClN2O5S2
Molecular Weight478.98 g/mol
Exact Mass478.04
IUPAC NameN-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl
InChIInChI=1S/C21H19ClN2O5S2/c1-29-18-10-8-14(23-21(26)11-9-17(25)19-7-4-12-30-19)13-20(18)31(27,28)24-16-6-3-2-5-15(16)22/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,26)
InChIKeyQCGPRAFFLKMLQO-UHFFFAOYSA-N
XLogP4.81
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.98
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 3890178
N-[4-chloro-3-[(2-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 4211075
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 5206844
N-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]phenyl]thiophene-3-carboxamide
CID 30452006
4-[(4-methoxyanilino)sulfonyl]-N-phenyl-2-thiophenecarboxamide
CID 1079045
N-(4-methoxyphenyl)-4-{[(4-methoxyphenyl)amino]sulfonyl}-2-thiophenecarboxamide
CID 2204342
N-[2-[4-chloro-3-[(4-methoxyphenyl)sulfamoyl]anilino]-2-oxoethyl]-5-methylthiophene-2-carboxamide
CID 3543841
N-[4-chloro-3-[(4-ethoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 4371411
N-[3-[(4-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-2-thiophen-2-ylacetamide
CID 4516891
N-(3-chloro-4-methoxyphenyl)-3-[(4-fluorophenyl)(methyl)sulfamoyl]thiophene-2-carboxamide
CID 30849032
N-(3-chloro-4-fluorophenyl)-3-[(4-methoxyphenyl)(methyl)sulfamoyl]thiophene-2-carboxamide
CID 49674376
5-(4-Chlorobenzenesulfonyl)-N-(4-ethoxyphenyl)thiophene-2-carboxamide
CID 53124643

Frequently Asked Questions

What is the IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 3425678) is N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)Nc1ccccc1Cl.
What is the InChIKey of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is QCGPRAFFLKMLQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN2O5S2/c1-29-18-10-8-14(23-21(26)11-9-17(25)19-7-4-12-30-19)13-20(18)31(27,28)24-16-6-3-2-5-15(16)22/h2-8,10,12-13,24H,9,11H2,1H3,(H,23,26).
What are the key properties of N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 478.98 g/mol, XLogP of 4.81, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 3425678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).