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

C24H24N2O2S — CID 2197507

IUPAC2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C24H24N2O2S/c27-21(16-18-10-4-1-5-11-18)25-23-22(24(28)26-14-8-3-9-15-26)20(17-29-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,17H,3,8-9,14-16H2,(H,25,27)
InChIKeyXAEBBDVEMPMNSW-UHFFFAOYSA-N
MW404.54 g/mol
LogP5.22
Rot. Bonds5

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

2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide (PubChem CID 2197507) has the molecular formula C24H24N2O2S and a molecular weight of 404.54 g/mol. Its IUPAC name is 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide
PubChem CID2197507
Molecular FormulaC24H24N2O2S
Molecular Weight404.54 g/mol
Exact Mass404.16
IUPAC Name2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide
SMILESO=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCC1
InChIInChI=1S/C24H24N2O2S/c27-21(16-18-10-4-1-5-11-18)25-23-22(24(28)26-14-8-3-9-15-26)20(17-29-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,17H,3,8-9,14-16H2,(H,25,27)
InChIKeyXAEBBDVEMPMNSW-UHFFFAOYSA-N
XLogP5.22
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500404.54
LogP ≤ 55.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-phenyl-N-[4-phenyl-3-(pyrrolidine-1-carbonyl)thiophen-2-yl]acetamide
CID 1251173
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
N-[2-(piperidine-1-carbonyl)phenyl]-2-thiophen-3-ylacetamide
CID 17425313
ethyl 4-(4-methoxyphenyl)-2-[(2-phenylacetyl)amino]thiophene-3-carboxylate
CID 1354018
4-(4-chlorophenyl)-2-(3-phenylpropanoylamino)thiophene-3-carboxylic acid
CID 23992898
cyclohexyl-[2-[(3-ethoxycarbonyl-4-phenylthiophen-2-yl)amino]-2-oxoethyl]azanium
CID 7673650
N,N-dicyclohexyl-2-(3-methylbutanoylamino)-4-phenylthiophene-3-carboxamide
CID 23880187
methyl 2-[[2-(dibenzylamino)acetyl]amino]-4-phenylthiophene-3-carboxylate
CID 22197466
2-[[2-(N-ethylanilino)acetyl]amino]-4-phenylthiophene-3-carboxylic acid
CID 28866266
ethyl 4-phenyl-2-[[2-[2-(4-phenylphenyl)acetyl]oxyacetyl]amino]thiophene-3-carboxylate
CID 23848884
methyl 2-[[2-(azepan-1-yl)acetyl]amino]-4-(4-methoxyphenyl)thiophene-3-carboxylate
CID 22198084

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide?
The IUPAC name of 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide (CID 2197507) is 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide is O=C(Cc1ccccc1)Nc1scc(-c2ccccc2)c1C(=O)N1CCCCC1.
What is the InChIKey of 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide?
The InChIKey is XAEBBDVEMPMNSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24N2O2S/c27-21(16-18-10-4-1-5-11-18)25-23-22(24(28)26-14-8-3-9-15-26)20(17-29-23)19-12-6-2-7-13-19/h1-2,4-7,10-13,17H,3,8-9,14-16H2,(H,25,27).
What are the key properties of 2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide?
2-phenyl-N-[4-phenyl-3-(piperidine-1-carbonyl)thiophen-2-yl]acetamide has a molecular weight of 404.54 g/mol, XLogP of 5.22, 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-(piperidine-1-carbonyl)thiophen-2-yl]acetamide is sourced from PubChem (CID 2197507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).