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

C21H20N2O5S2 — CID 3890178

IUPACN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-17-9-7-15(8-10-17)23-30(26,27)18-5-2-4-16(14-18)22-21(25)12-11-19(24)20-6-3-13-29-20/h2-10,13-14,23H,11-12H2,1H3,(H,22,25)
InChIKeyMHABCSJSJWXZHR-UHFFFAOYSA-N
MW444.53 g/mol
LogP4.16
Rot. Bonds9

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

N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 3890178) has the molecular formula C21H20N2O5S2 and a molecular weight of 444.53 g/mol. Its IUPAC name is N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID3890178
Molecular FormulaC21H20N2O5S2
Molecular Weight444.53 g/mol
Exact Mass444.08
IUPAC NameN-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1
InChIInChI=1S/C21H20N2O5S2/c1-28-17-9-7-15(8-10-17)23-30(26,27)18-5-2-4-16(14-18)22-21(25)12-11-19(24)20-6-3-13-29-20/h2-10,13-14,23H,11-12H2,1H3,(H,22,25)
InChIKeyMHABCSJSJWXZHR-UHFFFAOYSA-N
XLogP4.16
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.53
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-Methoxyphenyl)-2-thiophenecarboxamide
CID 573876
N-{4-Methoxy-3-[(4-methoxyphenyl)sulfamoyl]phenyl}-5-nitrothiophene-2-carboxamide
CID 4830568
3-amino-4-(isopropylsulfonyl)-N-(4-methoxyphenyl)-2-thiophenecarboxamide
CID 2815287
N-(4-methoxy-3-piperidin-1-ylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 4045486
4-[(4-Methoxyphenyl)sulfamoyl]thiophene-2-carboxamide
CID 6486042
N-(4-methoxyphenyl)-4-{[(thien-2-ylsulfonyl)amino]methyl}cyclohexanecarboxamide
CID 5322907
N-(4-Methoxyphenyl)-4-[3-(thiophene-2-sulfonyl)propanamido]benzamide
CID 15988744
N-(4-methoxybenzoyl)-N-(4-methoxyphenyl)-2-thiophenesulfonamide
CID 993467
N-(4-methoxyphenyl)-N-(2-methylbenzoyl)-2-thiophenesulfonamide
CID 993468
N-[4-[(2-methoxyphenyl)sulfamoyl]phenyl]-2-thiophen-2-ylacetamide
CID 2571814
N-[3-[(4-methoxyphenyl)sulfamoyl]-4-pyrrolidin-1-ylphenyl]thiophene-2-carboxamide
CID 3381484
N-[3-[(2-chlorophenyl)sulfamoyl]-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 3425678

Frequently Asked Questions

What is the IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 3890178) is N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(NS(=O)(=O)c2cccc(NC(=O)CCC(=O)c3cccs3)c2)cc1.
What is the InChIKey of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is MHABCSJSJWXZHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N2O5S2/c1-28-17-9-7-15(8-10-17)23-30(26,27)18-5-2-4-16(14-18)22-21(25)12-11-19(24)20-6-3-13-29-20/h2-10,13-14,23H,11-12H2,1H3,(H,22,25).
What are the key properties of N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 444.53 g/mol, XLogP of 4.16, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 3890178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).