N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide

C16H17N3O3S — CID 27648785

IUPACN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)18-12-4-6-13(7-5-12)19-15(21)8-9-17-16(22)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyJJHIMNVNDNHJRX-UHFFFAOYSA-N
MW331.40 g/mol
LogP2.47
Rot. Bonds6

About N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 27648785) 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-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID27648785
Molecular FormulaC16H17N3O3S
Molecular Weight331.40 g/mol
Exact Mass331.10
IUPAC NameN-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1
InChIInChI=1S/C16H17N3O3S/c1-11(20)18-12-4-6-13(7-5-12)19-15(21)8-9-17-16(22)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,22)(H,18,20)(H,19,21)
InChIKeyJJHIMNVNDNHJRX-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-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-[2,6-di(propan-2-yl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 17497186
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 27648785) is N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide is CC(=O)Nc1ccc(NC(=O)CCNC(=O)c2cccs2)cc1.
What is the InChIKey of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is JJHIMNVNDNHJRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S/c1-11(20)18-12-4-6-13(7-5-12)19-15(21)8-9-17-16(22)14-3-2-10-23-14/h2-7,10H,8-9H2,1H3,(H,17,22)(H,18,20)(H,19,21).
What are the key properties of N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-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-2-carboxamide is sourced from PubChem (CID 27648785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).