2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide

C23H22N2O2S — CID 1251173

IUPAC2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C23H22N2O2S/c26-20(15-17-9-3-1-4-10-17)24-22-21(23(27)25-13-7-8-14-25)19(16-28-22)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,24,26)
InChIKeyJYQWBICLFCVXHF-UHFFFAOYSA-N
MW390.51 g/mol
LogP4.83
Rot. Bonds5

About 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide

2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide (PubChem CID 1251173) has the molecular formula C23H22N2O2S and a molecular weight of 390.51 g/mol. Its IUPAC name is 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
PubChem CID1251173
Molecular FormulaC23H22N2O2S
Molecular Weight390.51 g/mol
Exact Mass390.14
IUPAC Name2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCC1
InChIInChI=1S/C23H22N2O2S/c26-20(15-17-9-3-1-4-10-17)24-22-21(23(27)25-13-7-8-14-25)19(16-28-22)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,24,26)
InChIKeyJYQWBICLFCVXHF-UHFFFAOYSA-N
XLogP4.83
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.51
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide
CID 2197507
N-[3-(4-ethylpiperazine-1-carbonyl)-4-phenylthiophen-2-yl]benzamide
CID 1191510
ethyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 2132970
4-(4-chlorophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
CID 23992898
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313
4-(4-chlorophenyl)-2-(4-phenylbutanoylamino)thiophene-3-carboxylic acid
CID 58295534
2-[[2-(N-ethylanilino)acetyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 28866266
2-[[2-(2-chlorophenoxy)acetyl]amino]-4-phenylthiophene-3-carboxamide
CID 4135786
methyl 2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxylate
CID 844860
cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium
CID 7673650
ethyl 2-[[2-(4-aza-1-azoniabicyclo[2.2.2]octan-1-yl)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 8717414
N,N-dicyclohexyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxamide
CID 23880187

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide (CID 1251173) is 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide is O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCC1.
What is the InChIKey of 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide?
The InChIKey is JYQWBICLFCVXHF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O2S/c26-20(15-17-9-3-1-4-10-17)24-22-21(23(27)25-13-7-8-14-25)19(16-28-22)18-11-5-2-6-12-18/h1-6,9-12,16H,7-8,13-15H2,(H,24,26).
What are the key properties of 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide?
2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide has a molecular weight of 390.51 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 1251173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).