N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide

C23H28N2O3S — CID 3202678

IUPACN-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)c1
InChIInChI=1S/C23H28N2O3S/c1-28-19-9-4-6-16(14-19)22(23(27)24-17-7-2-3-8-17)25(18-11-12-18)21(26)15-20-10-5-13-29-20/h4-6,9-10,13-14,17-18,22H,2-3,7-8,11-12,15H2,1H3,(H,24,27)
InChIKeyKLZKKRIDZAKGJP-UHFFFAOYSA-N
MW412.56 g/mol
LogP4.09
Rot. Bonds8

About N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide

N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide (PubChem CID 3202678) has the molecular formula C23H28N2O3S and a molecular weight of 412.56 g/mol. Its IUPAC name is N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
PubChem CID3202678
Molecular FormulaC23H28N2O3S
Molecular Weight412.56 g/mol
Exact Mass412.18
IUPAC NameN-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)c1
InChIInChI=1S/C23H28N2O3S/c1-28-19-9-4-6-16(14-19)22(23(27)24-17-7-2-3-8-17)25(18-11-12-18)21(26)15-20-10-5-13-29-20/h4-6,9-10,13-14,17-18,22H,2-3,7-8,11-12,15H2,1H3,(H,24,27)
InChIKeyKLZKKRIDZAKGJP-UHFFFAOYSA-N
XLogP4.09
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.56
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202881
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
CID 25310056
N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3202697
methyl 4-[(1R)-2-(cyclohexylamino)-1-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 40836489
(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 7383213
(2S)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309791
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3191007
N-cyclopentyl-2-[(3-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202922
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309769

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide (CID 3202678) is N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)C2CC2)c1.
What is the InChIKey of N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide?
The InChIKey is KLZKKRIDZAKGJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N2O3S/c1-28-19-9-4-6-16(14-19)22(23(27)24-17-7-2-3-8-17)25(18-11-12-18)21(26)15-20-10-5-13-29-20/h4-6,9-10,13-14,17-18,22H,2-3,7-8,11-12,15H2,1H3,(H,24,27).
What are the key properties of N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide?
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide has a molecular weight of 412.56 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3202678), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).