4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide

C20H16N2O3S2 — CID 11784254

IUPAC4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide
SMILESNC(=O)c1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C20H16N2O3S2/c21-16-15(19(22)25)20(26-11-14(23)12-7-3-1-4-8-12)27-18(16)17(24)13-9-5-2-6-10-13/h1-10H,11,21H2,(H2,22,25)
InChIKeyYAKBCCJVSIEYMM-UHFFFAOYSA-N
MW396.49 g/mol
LogP3.64
Rot. Bonds7

About 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide

4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide (PubChem CID 11784254) has the molecular formula C20H16N2O3S2 and a molecular weight of 396.49 g/mol. Its IUPAC name is 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide.

Molecular Properties

Compound Name4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide
PubChem CID11784254
Molecular FormulaC20H16N2O3S2
Molecular Weight396.49 g/mol
Exact Mass396.06
IUPAC Name4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide
SMILESNC(=O)c1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N
InChIInChI=1S/C20H16N2O3S2/c21-16-15(19(22)25)20(26-11-14(23)12-7-3-1-4-8-12)27-18(16)17(24)13-9-5-2-6-10-13/h1-10H,11,21H2,(H2,22,25)
InChIKeyYAKBCCJVSIEYMM-UHFFFAOYSA-N
XLogP3.64
TPSA103.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.49
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-amino-5-(4-methylbenzoyl)-N-(4-methylphenyl)-2-[2-(4-methylphenyl)-2-oxoethyl]sulfanylthiophene-3-carboxamide
CID 11677943
2-[3-benzoyl-5-(4-bromophenyl)thiophen-2-yl]sulfanyl-1-phenylethanone
CID 169087649
4-amino-5-benzoyl-2-propylsulfanylthiophene-3-carbonitrile
CID 54293871
4-amino-5-benzoyl-2-butylsulfanylthiophene-3-carbonitrile
CID 54069770
sodium 4-amino-5-benzoyl-3-ethoxycarbonylthiophene-2-thiolate
CID 42624946
2-[(5-phenacylsulfanyl-4-phenyl-1,2,4-triazol-3-yl)sulfanyl]-1-phenylethanone
CID 15879978
3-[(5-phenacylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 2957429
2-[(5-ethylsulfanyl-1,3,4-thiadiazol-2-yl)sulfanyl]-1-phenylethanone
CID 84602735
4-amino-2-anilino-5-(4-methoxybenzoyl)thiophene-3-carboxamide
CID 2380326
2-(4,6-diaminopyrimidine-1,3-diium-2-yl)sulfanyl-1-phenylethanone
CID 4744333
4-amino-5-benzoyl-2-[(3,4-dichlorophenyl)methylsulfanyl]thiophene-3-carbonitrile
CID 4268061
2-(4,5-dihydro-1,3-thiazol-2-ylsulfanyl)-1-phenylethanone
CID 794515

Frequently Asked Questions

What is the IUPAC name of 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide?
The IUPAC name of 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide (CID 11784254) is 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide.
What is the SMILES notation for 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide?
The canonical SMILES for 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide is NC(=O)c1c(SCC(=O)c2ccccc2)sc(C(=O)c2ccccc2)c1N.
What is the InChIKey of 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide?
The InChIKey is YAKBCCJVSIEYMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H16N2O3S2/c21-16-15(19(22)25)20(26-11-14(23)12-7-3-1-4-8-12)27-18(16)17(24)13-9-5-2-6-10-13/h1-10H,11,21H2,(H2,22,25).
What are the key properties of 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide?
4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide has a molecular weight of 396.49 g/mol, XLogP of 3.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-5-benzoyl-2-phenacylsulfanylthiophene-3-carboxamide is sourced from PubChem (CID 11784254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).