2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide

C19H14ClFN2O2S — CID 7998372

IUPAC2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN2O2S/c20-14-7-4-8-15(21)12(14)10-17(24)23-19-13(18(22)25)9-16(26-19)11-5-2-1-3-6-11/h1-9H,10H2,(H2,22,25)(H,23,24)
InChIKeyZETXHSQWQDXCMK-UHFFFAOYSA-N
MW388.85 g/mol
LogP4.49
Rot. Bonds5

About 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide

2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide (PubChem CID 7998372) has the molecular formula C19H14ClFN2O2S and a molecular weight of 388.85 g/mol. Its IUPAC name is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide.

Molecular Properties

Compound Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
PubChem CID7998372
Molecular FormulaC19H14ClFN2O2S
Molecular Weight388.85 g/mol
Exact Mass388.04
IUPAC Name2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide
SMILESNC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1c(F)cccc1Cl
InChIInChI=1S/C19H14ClFN2O2S/c20-14-7-4-8-15(21)12(14)10-17(24)23-19-13(18(22)25)9-16(26-19)11-5-2-1-3-6-11/h1-9H,10H2,(H2,22,25)(H,23,24)
InChIKeyZETXHSQWQDXCMK-UHFFFAOYSA-N
XLogP4.49
TPSA72.19 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.85
LogP ≤ 54.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

5-phenyl-2-[(2-sulfanylacetyl)amino]thiophene-3-carboxamide
CID 87897926
5-phenyl-2-[(2-pyrrolidin-1-ium-1-ylacetyl)amino]thiophene-3-carboxamide
CID 3534907
methyl 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-propylthiophene-3-carboxylate
CID 4100084
2-[[2-(cyclopentylamino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9169110
N-(2-chloro-4-fluorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 7959366
N-(4-amino-3,5-dichlorophenyl)-2-(2-chloro-6-fluorophenyl)acetamide
CID 24535666
2-[[2-(4-acetylanilino)acetyl]amino]-5-phenylthiophene-3-carboxamide
CID 9113396
2-(2-chloro-6-fluorophenyl)-N-(4-chlorophenyl)acetamide
CID 9413330
methyl 2-[[1-[(2-chloro-6-fluorophenyl)methyl]pyrazol-3-yl]carbamothioylamino]-5-phenylthiophene-3-carboxylate
CID 3292150
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-piperidin-1-ylbenzamide
CID 17417314
2-(2-chloro-6-fluorophenyl)-N-(3-chloro-4-fluorophenyl)acetamide
CID 9165979
2-(2-chloro-6-fluorophenyl)-N-(2,5-dichlorophenyl)acetamide
CID 7899933

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The IUPAC name of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide (CID 7998372) is 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide.
What is the SMILES notation for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The canonical SMILES for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide is NC(=O)c1cc(-c2ccccc2)sc1NC(=O)Cc1c(F)cccc1Cl.
What is the InChIKey of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
The InChIKey is ZETXHSQWQDXCMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClFN2O2S/c20-14-7-4-8-15(21)12(14)10-17(24)23-19-13(18(22)25)9-16(26-19)11-5-2-1-3-6-11/h1-9H,10H2,(H2,22,25)(H,23,24).
What are the key properties of 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide?
2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide has a molecular weight of 388.85 g/mol, XLogP of 4.49, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(2-chloro-6-fluorophenyl)acetyl]amino]-5-phenylthiophene-3-carboxamide is sourced from PubChem (CID 7998372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).