2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

C27H29ClN2O2S — CID 56645149

IUPAC2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C27H29ClN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32)
InChIKeyCJYXKJDANOUTME-UHFFFAOYSA-N
MW481.06 g/mol
LogP6.48
Rot. Bonds7

About 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide

2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (PubChem CID 56645149) has the molecular formula C27H29ClN2O2S and a molecular weight of 481.06 g/mol. Its IUPAC name is 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
PubChem CID56645149
Molecular FormulaC27H29ClN2O2S
Molecular Weight481.06 g/mol
Exact Mass480.16
IUPAC Name2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
SMILESCc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(Cl)c1
InChIInChI=1S/C27H29ClN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32)
InChIKeyCJYXKJDANOUTME-UHFFFAOYSA-N
XLogP6.48
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.06
LogP ≤ 56.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
2-(3-fluoro-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-methylphenyl)-N-piperidin-4-ylacetamide
CID 71461016
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 123813492
(2S)-N-cyclohexyl-2-(4-hydroxyphenyl)-2-(3-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1168238
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-chlorophenyl)-N-cyclopentylacetamide
CID 3202565
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202650
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 25309887
2-(3-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202898

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The IUPAC name of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide (CID 56645149) is 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide.
What is the SMILES notation for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The canonical SMILES for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is Cc1ccccc1C(C(=O)NC1CCCCC1)N(C(=O)Cc1cccs1)c1cccc(Cl)c1.
What is the InChIKey of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
The InChIKey is CJYXKJDANOUTME-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29ClN2O2S/c1-19-9-5-6-15-24(19)26(27(32)29-21-11-3-2-4-12-21)30(22-13-7-10-20(28)17-22)25(31)18-23-14-8-16-33-23/h5-10,13-17,21,26H,2-4,11-12,18H2,1H3,(H,29,32).
What are the key properties of 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide?
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide has a molecular weight of 481.06 g/mol, XLogP of 6.48, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide is sourced from PubChem (CID 56645149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).