N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide

C15H15N3O3S — CID 17476352

IUPACN-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H15N3O3S/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2-8H,9H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyXSALJPUOJJIEKE-UHFFFAOYSA-N
MW317.37 g/mol
LogP2.08
Rot. Bonds5

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

N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide (PubChem CID 17476352) has the molecular formula C15H15N3O3S and a molecular weight of 317.37 g/mol. Its IUPAC name is N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
PubChem CID17476352
Molecular FormulaC15H15N3O3S
Molecular Weight317.37 g/mol
Exact Mass317.08
IUPAC NameN-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide
SMILESCC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccs2)c1
InChIInChI=1S/C15H15N3O3S/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2-8H,9H2,1H3,(H,16,21)(H,17,19)(H,18,20)
InChIKeyXSALJPUOJJIEKE-UHFFFAOYSA-N
XLogP2.08
TPSA87.30 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.37
LogP ≤ 52.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-[3-(cyclopropanecarbonylamino)anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 38325683
N-[3-[[2-[(2-fluorobenzoyl)amino]acetyl]amino]phenyl]thiophene-2-carboxamide
CID 31518611
N-[2-[(4-acetamidophenyl)methylamino]-2-oxoethyl]thiophene-2-carboxamide
CID 18154158
N-[3-(3-acetylanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17497033
N-[3-(4-acetamidoanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 27648785
N-[2-(2,6-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 110698088
N-[3-[[2-(2-methoxyethylamino)acetyl]amino]phenyl]thiophene-2-carboxamide
CID 119701086
N-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]thiophene-2-carboxamide
CID 6460151
N-[2-[3-[(4-fluorophenyl)methoxy]anilino]-2-oxoethyl]thiophene-2-carboxamide
CID 134020922
N-[2-(2,3-dichloroanilino)-2-oxoethyl]thiophene-2-carboxamide
CID 46756487
N-[2-(3-acetamidoanilino)-2-oxoethyl]-3-methylbenzamide
CID 26584037
N-[3-(3-fluoroanilino)-3-oxopropyl]thiophene-2-carboxamide
CID 17499765

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide (CID 17476352) is N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide is CC(=O)Nc1cccc(NC(=O)CNC(=O)c2cccs2)c1.
What is the InChIKey of N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide?
The InChIKey is XSALJPUOJJIEKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3O3S/c1-10(19)17-11-4-2-5-12(8-11)18-14(20)9-16-15(21)13-6-3-7-22-13/h2-8H,9H2,1H3,(H,16,21)(H,17,19)(H,18,20).
What are the key properties of N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide?
N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide has a molecular weight of 317.37 g/mol, XLogP of 2.08, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-acetamidoanilino)-2-oxoethyl]thiophene-2-carboxamide is sourced from PubChem (CID 17476352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).