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

C14H13ClN2O2S — CID 17499773

IUPACN-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-10-3-5-11(6-4-10)17-13(18)7-8-16-14(19)12-2-1-9-20-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18)
InChIKeyGQGILKNQYODEPS-UHFFFAOYSA-N
MW308.79 g/mol
LogP3.16
Rot. Bonds5

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

N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17499773) has the molecular formula C14H13ClN2O2S and a molecular weight of 308.79 g/mol. Its IUPAC name is N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17499773
Molecular FormulaC14H13ClN2O2S
Molecular Weight308.79 g/mol
Exact Mass308.04
IUPAC NameN-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESO=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1
InChIInChI=1S/C14H13ClN2O2S/c15-10-3-5-11(6-4-10)17-13(18)7-8-16-14(19)12-2-1-9-20-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18)
InChIKeyGQGILKNQYODEPS-UHFFFAOYSA-N
XLogP3.16
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.79
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[3-(4-chloro-2-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499621
N-[3-oxo-3-[4-(propan-2-ylcarbamoylamino)anilino]propyl]thiophene-2-carboxamide
CID 38196534
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-(4-imidazol-1-ylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 37195585
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[3-(2-chloro-4-methylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497031
N-[2-[[4-(3-phenylsulfanylpropanoylamino)benzoyl]amino]ethyl]thiophene-2-carboxamide
CID 121062981

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17499773) is N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide is O=C(CCNC(=O)c1cccs1)Nc1ccc(Cl)cc1.
What is the InChIKey of N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is GQGILKNQYODEPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN2O2S/c15-10-3-5-11(6-4-10)17-13(18)7-8-16-14(19)12-2-1-9-20-12/h1-6,9H,7-8H2,(H,16,19)(H,17,18).
What are the key properties of N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 308.79 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17499773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).