N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

C28H32N2O3S — CID 3202650

IUPACN-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCCOc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C
InChIInChI=1S/C28H32N2O3S/c1-3-33-25-17-9-7-15-23(25)27(28(32)29-21-12-5-6-13-21)30(24-16-8-4-11-20(24)2)26(31)19-22-14-10-18-34-22/h4,7-11,14-18,21,27H,3,5-6,12-13,19H2,1-2H3,(H,29,32)
InChIKeyIHMJZJGFKAZJTR-UHFFFAOYSA-N
MW476.64 g/mol
LogP5.83
Rot. Bonds9

About N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide

N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (PubChem CID 3202650) has the molecular formula C28H32N2O3S and a molecular weight of 476.64 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
PubChem CID3202650
Molecular FormulaC28H32N2O3S
Molecular Weight476.64 g/mol
Exact Mass476.21
IUPAC NameN-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
SMILESCCOc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C
InChIInChI=1S/C28H32N2O3S/c1-3-33-25-17-9-7-15-23(25)27(28(32)29-21-12-5-6-13-21)30(24-16-8-4-11-20(24)2)26(31)19-22-14-10-18-34-22/h4,7-11,14-18,21,27H,3,5-6,12-13,19H2,1-2H3,(H,29,32)
InChIKeyIHMJZJGFKAZJTR-UHFFFAOYSA-N
XLogP5.83
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.64
LogP ≤ 55.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 25309887
(2S)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441646
(2R)-N-cyclohexyl-2-(1,3-dimethylpyrazol-4-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441647
N-cyclopentyl-2-(2-fluorophenyl)-2-(2-fluoro-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202815
(2S)-N-cyclohexyl-2-(1-methylpyrrol-2-yl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1441619
methyl 4-[[2-(cyclopentylamino)-1-(2-methylphenyl)-2-oxoethyl]-(2-thiophen-2-ylacetyl)amino]benzoate
CID 3202850
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202956
N-cyclopentyl-2-[2,3-dihydro-1,4-benzodioxin-6-yl-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 3202859
2-(3-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(2-methylphenyl)acetamide
CID 56645149
N-cyclopentyl-2-(2-fluorophenyl)-2-(4-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202828
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
N-cyclohexyl-2-[(1-methylcycloprop-2-en-1-yl)-(2-thiophen-2-ylacetyl)amino]-2-(2-methylphenyl)acetamide
CID 123813492

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide (CID 3202650) is N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is CCOc1ccccc1C(C(=O)NC1CCCC1)N(C(=O)Cc1cccs1)c1ccccc1C.
What is the InChIKey of N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
The InChIKey is IHMJZJGFKAZJTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O3S/c1-3-33-25-17-9-7-15-23(25)27(28(32)29-21-12-5-6-13-21)30(24-16-8-4-11-20(24)2)26(31)19-22-14-10-18-34-22/h4,7-11,14-18,21,27H,3,5-6,12-13,19H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide?
N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide has a molecular weight of 476.64 g/mol, XLogP of 5.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-ethoxyphenyl)-2-(2-methyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide is sourced from PubChem (CID 3202650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).