N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

C27H30N2O4S — CID 3202943

IUPACN-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C27H30N2O4S/c1-32-23-15-14-21(17-24(23)33-2)29(25(30)18-22-13-8-16-34-22)26(19-9-4-3-5-10-19)27(31)28-20-11-6-7-12-20/h3-5,8-10,13-17,20,26H,6-7,11-12,18H2,1-2H3,(H,28,31)
InChIKeyPCEDEMWEFXNEPN-UHFFFAOYSA-N
MW478.61 g/mol
LogP5.14
Rot. Bonds9

About N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide

N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (PubChem CID 3202943) has the molecular formula C27H30N2O4S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
PubChem CID3202943
Molecular FormulaC27H30N2O4S
Molecular Weight478.61 g/mol
Exact Mass478.19
IUPAC NameN-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
SMILESCOc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1OC
InChIInChI=1S/C27H30N2O4S/c1-32-23-15-14-21(17-24(23)33-2)29(25(30)18-22-13-8-16-34-22)26(19-9-4-3-5-10-19)27(31)28-20-11-6-7-12-20/h3-5,8-10,13-17,20,26H,6-7,11-12,18H2,1-2H3,(H,28,31)
InChIKeyPCEDEMWEFXNEPN-UHFFFAOYSA-N
XLogP5.14
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.61
LogP ≤ 55.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(2-fluorophenyl)acetamide
CID 3202820
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202593
2-(4-chlorophenyl)-N-cyclopentyl-2-(4-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202552
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3202697
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309769
N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
CID 3202707
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The IUPAC name of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide (CID 3202943) is N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is COc1ccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccccc2)cc1OC.
What is the InChIKey of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
The InChIKey is PCEDEMWEFXNEPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30N2O4S/c1-32-23-15-14-21(17-24(23)33-2)29(25(30)18-22-13-8-16-34-22)26(19-9-4-3-5-10-19)27(31)28-20-11-6-7-12-20/h3-5,8-10,13-17,20,26H,6-7,11-12,18H2,1-2H3,(H,28,31).
What are the key properties of N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide?
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide has a molecular weight of 478.61 g/mol, XLogP of 5.14, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide is sourced from PubChem (CID 3202943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).