N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide

C16H16N2O3S — CID 17497033

IUPACN-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2O3S/c1-11(19)12-4-2-5-13(10-12)18-15(20)7-8-17-16(21)14-6-3-9-22-14/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyBDMNEKUKULKTQV-UHFFFAOYSA-N
MW316.38 g/mol
LogP2.71
Rot. Bonds6

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

N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 17497033) has the molecular formula C16H16N2O3S and a molecular weight of 316.38 g/mol. Its IUPAC name is N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
PubChem CID17497033
Molecular FormulaC16H16N2O3S
Molecular Weight316.38 g/mol
Exact Mass316.09
IUPAC NameN-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
SMILESCC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1
InChIInChI=1S/C16H16N2O3S/c1-11(19)12-4-2-5-13(10-12)18-15(20)7-8-17-16(21)14-6-3-9-22-14/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,20)
InChIKeyBDMNEKUKULKTQV-UHFFFAOYSA-N
XLogP2.71
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.38
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-[3-(ethylcarbamoyl)anilino]-3-oxopropyl]thiophene-2-carboxamide
CID 46421922
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[3-(3-cyanoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497876
N-[4-[3-(cyclopropylcarbamoyl)anilino]-4-oxobutyl]thiophene-2-carboxamide
CID 26110881
N-ethyl-3-[(4-oxo-4-thiophen-2-ylbutanoyl)amino]benzamide
CID 17470169
N-[3-(4-chloroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499773
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 17476352
N-[3-[1-(3-benzamidophenyl)ethylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 55693558
N-[3-(3-chloro-4-methoxyanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497310
N-[3-(4-methylsulfonylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 18191008
N-[4-(3-ethynylanilino)-4-oxobutyl]thiophene-2-carboxamide
CID 51337792

Frequently Asked Questions

What is the IUPAC name of N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide (CID 17497033) is N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide is CC(=O)c1cccc(NC(=O)CCNC(=O)c2cccs2)c1.
What is the InChIKey of N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is BDMNEKUKULKTQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O3S/c1-11(19)12-4-2-5-13(10-12)18-15(20)7-8-17-16(21)14-6-3-9-22-14/h2-6,9-10H,7-8H2,1H3,(H,17,21)(H,18,20).
What are the key properties of N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide?
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 316.38 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 17497033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).