(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide

C25H32N2O4S — CID 25310056

IUPAC(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)C2CC2)c(OC)c1
InChIInChI=1S/C25H32N2O4S/c1-30-19-12-13-21(22(15-19)31-2)24(25(29)26-17-7-4-3-5-8-17)27(18-10-11-18)23(28)16-20-9-6-14-32-20/h6,9,12-15,17-18,24H,3-5,7-8,10-11,16H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyYRHZVXAGBWTFPY-XMMPIXPASA-N
MW456.61 g/mol
LogP4.49
Rot. Bonds9

About (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide

(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide (PubChem CID 25310056) has the molecular formula C25H32N2O4S and a molecular weight of 456.61 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
PubChem CID25310056
Molecular FormulaC25H32N2O4S
Molecular Weight456.61 g/mol
Exact Mass456.21
IUPAC Name(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)C2CC2)c(OC)c1
InChIInChI=1S/C25H32N2O4S/c1-30-19-12-13-21(22(15-19)31-2)24(25(29)26-17-7-4-3-5-8-17)27(18-10-11-18)23(28)16-20-9-6-14-32-20/h6,9,12-15,17-18,24H,3-5,7-8,10-11,16H2,1-2H3,(H,26,29)/t24-/m1/s1
InChIKeyYRHZVXAGBWTFPY-XMMPIXPASA-N
XLogP4.49
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.61
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
CID 3202678
N-cyclohexyl-2-(2,4-dimethoxyphenyl)-2-[furan-2-ylmethyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3191075
methyl 4-[(1R)-2-(cyclohexylamino)-1-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-oxoethyl]benzoate
CID 40836489
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-phenylacetamide
CID 3202881
N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methylthiophen-2-yl)acetamide
CID 652619
(2S)-N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(4-propan-2-ylphenyl)acetamide
CID 7383213
N-cyclohexyl-2-(4-methoxyphenyl)-2-[(2-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3184904
N-cyclopentyl-2-(2,5-dimethoxyphenyl)-2-[3-ethoxypropyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 3202615
(2S)-N-cyclohexyl-2-(2,3-dimethoxyphenyl)-2-[(4-methoxyphenyl)methyl-(2-thiophen-2-ylacetyl)amino]acetamide
CID 98097835
2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 3197921
(2R)-2-[[2-(benzotriazol-1-yl)acetyl]-(thiophen-2-ylmethyl)amino]-N-cyclohexyl-2-(2,4-dimethoxyphenyl)acetamide
CID 98102489
N-[2-(cyclohexylamino)-1-(2,4-dimethoxyphenyl)-2-oxoethyl]-N-(3-ethoxypropyl)thiophene-2-carboxamide
CID 3202329

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide?
The IUPAC name of (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide (CID 25310056) is (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide is COc1ccc([C@H](C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)C2CC2)c(OC)c1.
What is the InChIKey of (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide?
The InChIKey is YRHZVXAGBWTFPY-XMMPIXPASA-N. The full InChI is InChI=1S/C25H32N2O4S/c1-30-19-12-13-21(22(15-19)31-2)24(25(29)26-17-7-4-3-5-8-17)27(18-10-11-18)23(28)16-20-9-6-14-32-20/h6,9,12-15,17-18,24H,3-5,7-8,10-11,16H2,1-2H3,(H,26,29)/t24-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide?
(2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide has a molecular weight of 456.61 g/mol, XLogP of 4.49, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(2,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 25310056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).