N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide

C16H19N3O4S2 — CID 55984716

IUPACN-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C16H19N3O4S2/c1-19(2)25(22,23)14-6-4-3-5-13(14)18-15(20)7-9-17-16(21)12-8-10-24-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCHDQYKSEMPRXPM-UHFFFAOYSA-N
MW381.48 g/mol
LogP1.76
Rot. Bonds7

About N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide

N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 55984716) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID55984716
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC NameN-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCN(C)S(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C16H19N3O4S2/c1-19(2)25(22,23)14-6-4-3-5-13(14)18-15(20)7-9-17-16(21)12-8-10-24-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,21)(H,18,20)
InChIKeyCHDQYKSEMPRXPM-UHFFFAOYSA-N
XLogP1.76
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724
N-[3-[2-(ethoxymethyl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 86821772
N-[4-(2-hydroxyanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 18126266
N-[3-[2-(azepan-1-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 38165800
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 30266946
N-[3-(5-tert-butyl-2-hydroxyanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 29265430
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[3-(2,4-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 17499617
N-[3-(2,5-dibromoanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 39166512
N-[3-[3-[benzyl(methyl)amino]propylamino]-3-oxopropyl]thiophene-3-carboxamide
CID 18272017
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide (CID 55984716) is N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide is CN(C)S(=O)(=O)c1ccccc1NC(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is CHDQYKSEMPRXPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-19(2)25(22,23)14-6-4-3-5-13(14)18-15(20)7-9-17-16(21)12-8-10-24-11-12/h3-6,8,10-11H,7,9H2,1-2H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 381.48 g/mol, XLogP of 1.76, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(dimethylsulfamoyl)anilino]-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 55984716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).