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

C17H20N2O5S2 — CID 9106438

IUPACN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S2/c1-19(2)26(22,23)16-11-12(6-8-14(16)24-3)18-17(21)9-7-13(20)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3,(H,18,21)
InChIKeyRSSSEZOSRMOOMU-UHFFFAOYSA-N
MW396.49 g/mol
LogP2.61
Rot. Bonds8

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

N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide (PubChem CID 9106438) has the molecular formula C17H20N2O5S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide.

Molecular Properties

Compound NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
PubChem CID9106438
Molecular FormulaC17H20N2O5S2
Molecular Weight396.49 g/mol
Exact Mass396.08
IUPAC NameN-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide
SMILESCOc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C17H20N2O5S2/c1-19(2)26(22,23)16-11-12(6-8-14(16)24-3)18-17(21)9-7-13(20)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3,(H,18,21)
InChIKeyRSSSEZOSRMOOMU-UHFFFAOYSA-N
XLogP2.61
TPSA92.78 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[3-(dimethylsulfamoyl)-4-methoxyanilino]-2-oxoethyl] thiophene-2-carboxylate
CID 9199427
N-(3,4-dimethoxyphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 26695152
N-[2-[[3-(dimethylsulfamoyl)-4-methoxyphenyl]carbamoyl]phenyl]thiophene-2-carboxamide
CID 30661239
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3-thiophen-3-ylpropanamide
CID 9399939
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-3,3-dimethylbutanamide
CID 9109103
3-(2,3-dimethoxyphenyl)-N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]propanamide
CID 9020974
N-[3-(dimethylamino)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 108796402
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]thiophene-2-sulfonamide
CID 8519544
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 42947000
N-[3-(methanesulfonamido)phenyl]-4-oxo-4-thiophen-2-ylbutanamide
CID 30806579
N-(4-methylphenyl)-4-oxo-4-thiophen-2-ylbutanamide
CID 954394
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-2-(2-iodoanilino)acetamide
CID 24658780

Frequently Asked Questions

What is the IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The IUPAC name of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide (CID 9106438) is N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide.
What is the SMILES notation for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The canonical SMILES for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide is COc1ccc(NC(=O)CCC(=O)c2cccs2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
The InChIKey is RSSSEZOSRMOOMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O5S2/c1-19(2)26(22,23)16-11-12(6-8-14(16)24-3)18-17(21)9-7-13(20)15-5-4-10-25-15/h4-6,8,10-11H,7,9H2,1-3H3,(H,18,21).
What are the key properties of N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide?
N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide has a molecular weight of 396.49 g/mol, XLogP of 2.61, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(dimethylsulfamoyl)-4-methoxyphenyl]-4-oxo-4-thiophen-2-ylbutanamide is sourced from PubChem (CID 9106438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).