2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide

C19H15FN2O2S2 — CID 16857900

IUPAC2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S2/c20-13-6-8-14(9-7-13)25-11-17(23)22-19-15(18(21)24)10-16(26-19)12-4-2-1-3-5-12/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyDDCXCAAVVUWVOB-UHFFFAOYSA-N
MW386.47 g/mol
LogP4.38
Rot. Bonds6

About 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide

2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 16857900) has the molecular formula C19H15FN2O2S2 and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID16857900
Molecular FormulaC19H15FN2O2S2
Molecular Weight386.47 g/mol
Exact Mass386.06
IUPAC Name2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(F)cc1
InChIInChI=1S/C19H15FN2O2S2/c20-13-6-8-14(9-7-13)25-11-17(23)22-19-15(18(21)24)10-16(26-19)12-4-2-1-3-5-12/h1-10H,11H2,(H2,21,24)(H,22,23)
InChIKeyDDCXCAAVVUWVOB-UHFFFAOYSA-N
XLogP4.38
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 7998372
2-[[2-[(5-cyano-4-ethyl-6-oxo-1H-pyrimidin-2-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 135996154
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
2-(3-phenothiazin-10-ylpropanoylamino)-5-phenylthiophene-3-carboxamide
CID 2446842
N-(4-fluorophenyl)-2-phenylsulfanylacetamide
CID 532041
ethyl 2-[[2-[(4-amino-5-methyl-1,2,4-triazol-3-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate
CID 2603814
5-phenyl-2-[[(Z)-3-thiophen-2-ylprop-2-enoyl]amino]thiophene-3-carboxamide
CID 70158303
N-(4-fluorophenyl)-2-[4-(phenylcarbamothioylamino)phenyl]sulfanylacetamide
CID 19712820
N-(2,6-difluorophenyl)-2-(4-fluorophenyl)sulfanylacetamide
CID 7284421

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide (CID 16857900) is 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)CSc1ccc(F)cc1.
What is the InChIKey of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is DDCXCAAVVUWVOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15FN2O2S2/c20-13-6-8-14(9-7-13)25-11-17(23)22-19-15(18(21)24)10-16(26-19)12-4-2-1-3-5-12/h1-10H,11H2,(H2,21,24)(H,22,23).
What are the key properties of 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 386.47 g/mol, XLogP of 4.38, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(4-fluorophenyl)sulfanylacetyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 16857900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).