N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

C20H18N2O2S2 — CID 24653835

IUPACN-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S2/c1-25-16-10-5-9-15(13-16)21-20(24)18(14-7-3-2-4-8-14)22-19(23)17-11-6-12-26-17/h2-13,18H,1H3,(H,21,24)(H,22,23)
InChIKeyCPZZIZWZMVGPKV-UHFFFAOYSA-N
MW382.51 g/mol
LogP4.58
Rot. Bonds6

About N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide

N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (PubChem CID 24653835) has the molecular formula C20H18N2O2S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
PubChem CID24653835
Molecular FormulaC20H18N2O2S2
Molecular Weight382.51 g/mol
Exact Mass382.08
IUPAC NameN-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
SMILESCSc1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1
InChIInChI=1S/C20H18N2O2S2/c1-25-16-10-5-9-15(13-16)21-20(24)18(14-7-3-2-4-8-14)22-19(23)17-11-6-12-26-17/h2-13,18H,1H3,(H,21,24)(H,22,23)
InChIKeyCPZZIZWZMVGPKV-UHFFFAOYSA-N
XLogP4.58
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 54.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(3-carbamoylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 24653858
N-[(1R)-2-[4-fluoro-3-(methanesulfonamido)anilino]-2-oxo-1-phenylethyl]thiophene-2-carboxamide
CID 32954528
N-[3-[2-(4-carbamoylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906394
N-[3-[2-oxo-1-phenyl-2-(4-propan-2-ylanilino)ethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906360
N-[3-[2-(4-iodoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]thiophene-2-carboxamide
CID 18906376
(2R)-2-methoxy-N-(3-methylsulfanylphenyl)-2-phenylacetamide
CID 124616033
methyl 2-[[(2S)-2-phenyl-2-(thiophene-2-carbonylamino)acetyl]amino]benzoate
CID 2237012
N-(1-anilino-1-oxopropan-2-yl)thiophene-2-carboxamide
CID 42929942
N-[1-(3-fluoroanilino)-1-oxopropan-2-yl]thiophene-2-carboxamide
CID 46756514
N-[(1S)-2-oxo-1-phenyl-2-(1H-pyrazol-5-ylamino)ethyl]thiophene-2-carboxamide
CID 95331365
3-amino-4-(3-methylsulfanylanilino)-4-oxobutanoic acid
CID 64896435
2-hydroxy-5-[[2-phenyl-2-[3-(thiophene-2-carbonylamino)phenyl]sulfanylacetyl]amino]benzoic acid
CID 18906397

Frequently Asked Questions

What is the IUPAC name of N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide (CID 24653835) is N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is CSc1cccc(NC(=O)C(NC(=O)c2cccs2)c2ccccc2)c1.
What is the InChIKey of N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
The InChIKey is CPZZIZWZMVGPKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N2O2S2/c1-25-16-10-5-9-15(13-16)21-20(24)18(14-7-3-2-4-8-14)22-19(23)17-11-6-12-26-17/h2-13,18H,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide?
N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide has a molecular weight of 382.51 g/mol, XLogP of 4.58, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3-methylsulfanylanilino)-2-oxo-1-phenylethyl]thiophene-2-carboxamide is sourced from PubChem (CID 24653835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).