4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide

C21H20N2O2S2 — CID 1009226

IUPAC4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C21H20N2O2S2/c1-13-14(2)26-21(17(13)19(22)24)23-20(25)18(15-9-5-3-6-10-15)27-16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H2,22,24)(H,23,25)/t18-/m0/s1
InChIKeyHKUAMTFEOFWAMI-SFHVURJKSA-N
MW396.54 g/mol
LogP4.94
Rot. Bonds6

About 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide

4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide (PubChem CID 1009226) has the molecular formula C21H20N2O2S2 and a molecular weight of 396.54 g/mol. Its IUPAC name is 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide.

Molecular Properties

Compound Name4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
PubChem CID1009226
Molecular FormulaC21H20N2O2S2
Molecular Weight396.54 g/mol
Exact Mass396.10
IUPAC Name4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
SMILESCc1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C
InChIInChI=1S/C21H20N2O2S2/c1-13-14(2)26-21(17(13)19(22)24)23-20(25)18(15-9-5-3-6-10-15)27-16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H2,22,24)(H,23,25)/t18-/m0/s1
InChIKeyHKUAMTFEOFWAMI-SFHVURJKSA-N
XLogP4.94
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.54
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dimethyl-2-[(2-phenyl-2-phenylsulfanylacetyl)amino]thiophene-3-carboxamide
CID 2931398
2-[(2-phenyl-2-phenylsulfanylacetyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
CID 3268268
2-[[(2R)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide
CID 7346644
2-[(2,2-diphenylacetyl)amino]-4,5-dimethylthiophene-3-carboxylic acid
CID 1318924
N-(4-methylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 17381762
(2R)-N-(4,6-dimethylpyrimidin-2-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 40554986
(2S)-N,2-diphenyl-2-phenylsulfanylacetamide
CID 821034
N,2-diphenyl-2-phenylsulfanylacetamide
CID 2885898
4,5-dimethyl-2-[[(2R)-2-(2-methylphenoxy)propanoyl]amino]thiophene-3-carboxamide
CID 7378277
2-[(3-benzamido-3-phenylpropanoyl)amino]-4,5-dimethylthiophene-3-carboxamide
CID 56500894
(2R)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202698
(2S)-N-[5-(ethoxymethyl)-1,3,4-thiadiazol-2-yl]-2-phenyl-2-phenylsulfanylacetamide
CID 2202699

Frequently Asked Questions

What is the IUPAC name of 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide?
The IUPAC name of 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide (CID 1009226) is 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide.
What is the SMILES notation for 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide?
The canonical SMILES for 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide is Cc1sc(NC(=O)[C@@H](Sc2ccccc2)c2ccccc2)c(C(N)=O)c1C.
What is the InChIKey of 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide?
The InChIKey is HKUAMTFEOFWAMI-SFHVURJKSA-N. The full InChI is InChI=1S/C21H20N2O2S2/c1-13-14(2)26-21(17(13)19(22)24)23-20(25)18(15-9-5-3-6-10-15)27-16-11-7-4-8-12-16/h3-12,18H,1-2H3,(H2,22,24)(H,23,25)/t18-/m0/s1.
What are the key properties of 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide?
4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide has a molecular weight of 396.54 g/mol, XLogP of 4.94, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dimethyl-2-[[(2S)-2-phenyl-2-phenylsulfanylacetyl]amino]thiophene-3-carboxamide is sourced from PubChem (CID 1009226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).