N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

C21H18N2O3S2 — CID 22775651

IUPACN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-14(24)15-4-6-16(7-5-15)22-20(25)13-28-18-10-8-17(9-11-18)23-21(26)19-3-2-12-27-19/h2-12H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOMZYZOGWFWUGPE-UHFFFAOYSA-N
MW410.52 g/mol
LogP4.93
Rot. Bonds7

About N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide

N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (PubChem CID 22775651) has the molecular formula C21H18N2O3S2 and a molecular weight of 410.52 g/mol. Its IUPAC name is N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
PubChem CID22775651
Molecular FormulaC21H18N2O3S2
Molecular Weight410.52 g/mol
Exact Mass410.08
IUPAC NameN-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
SMILESCC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)cc2)cc1
InChIInChI=1S/C21H18N2O3S2/c1-14(24)15-4-6-16(7-5-15)22-20(25)13-28-18-10-8-17(9-11-18)23-21(26)19-3-2-12-27-19/h2-12H,13H2,1H3,(H,22,25)(H,23,26)
InChIKeyOMZYZOGWFWUGPE-UHFFFAOYSA-N
XLogP4.93
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.52
LogP ≤ 54.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-acetylphenyl)thiophene-2-carboxamide
CID 573780
N-[4-[2-[(4-methyl-1,3-thiazol-2-yl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630090
N-[4-[2-(2-methoxyanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19630801
N-[4-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22780441
N-[4-[2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 22778473
N-[4-[2-[(5-chloro-2-pyridinyl)amino]-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19631271
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]-2-methylbenzamide
CID 22777041
N-(4-acetylphenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 2194131
N-[3-[2-oxo-2-(pyridin-4-ylamino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19298764
N-[3-[2-(3,4-dimethylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906207
N-[4-[2-(2-chlorophenyl)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 19629990
N-(4-acetamidophenyl)-2-[4-(thiophen-2-ylsulfonylamino)phenyl]sulfanylacetamide
CID 23095595

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The IUPAC name of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide (CID 22775651) is N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The canonical SMILES for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is CC(=O)c1ccc(NC(=O)CSc2ccc(NC(=O)c3cccs3)cc2)cc1.
What is the InChIKey of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
The InChIKey is OMZYZOGWFWUGPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N2O3S2/c1-14(24)15-4-6-16(7-5-15)22-20(25)13-28-18-10-8-17(9-11-18)23-21(26)19-3-2-12-27-19/h2-12H,13H2,1H3,(H,22,25)(H,23,26).
What are the key properties of N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide?
N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide has a molecular weight of 410.52 g/mol, XLogP of 4.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(4-acetylanilino)-2-oxoethyl]sulfanylphenyl]thiophene-2-carboxamide is sourced from PubChem (CID 22775651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).