N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide

C16H17N3O3S — CID 30266946

IUPACN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)18-13-2-4-14(5-3-13)19-15(21)6-8-17-16(22)12-7-9-23-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyZRJIHIQHUJGZBI-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 30266946) has the molecular formula C16H17N3O3S and a molecular weight of 331.40 g/mol. Its IUPAC name is N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
PubChem CID30266946
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)18-13-2-4-14(5-3-13)19-15(21)6-8-17-16(22)12-7-9-23-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyZRJIHIQHUJGZBI-UHFFFAOYSA-N
XLogP2.47
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.40
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-(4-acetamidoanilino)-4-oxobutyl]thiophene-3-carboxamide
CID 17497888
N-[3-oxo-3-(4-phenylanilino)propyl]thiophene-3-carboxamide
CID 46580901
(4-acetamidophenyl) 4-(thiophene-3-carbonylamino)butanoate
CID 46552232
N-[3-[4-(5-methyl-1H-1,2,4-triazol-3-yl)anilino]-3-oxopropyl]thiophene-3-carboxamide
CID 49423955
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 31409970
N-[3-(1,3-benzodioxol-5-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30267459
N-[3-[(1-acetyl-2,3-dihydroindol-5-yl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 30495442
N-[4-[[4-(4-acetamidophenyl)-1,3-thiazol-2-yl]amino]-4-oxobutyl]thiophene-3-carboxamide
CID 43029756
N-[3-(2,6-difluoroanilino)-3-oxopropyl]thiophene-3-carboxamide
CID 78802763
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[[1-(4-acetamidophenyl)sulfonylpiperidin-4-yl]amino]-3-oxopropyl]thiophene-3-carboxamide
CID 24611613
N-[3-(naphthalen-1-ylamino)-3-oxopropyl]thiophene-3-carboxamide
CID 30268724

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide (CID 30266946) is N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide is CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2ccsc2)cc1.
What is the InChIKey of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is ZRJIHIQHUJGZBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(20)18-13-2-4-14(5-3-13)19-15(21)6-8-17-16(22)12-7-9-23-10-12/h2-5,7,9-10H,6,8H2,1H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide?
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide has a molecular weight of 331.40 g/mol, XLogP of 2.47, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-3-carboxamide is sourced from PubChem (CID 30266946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).