N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide

C28H32N2O4S — CID 3202707

IUPACN-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)c1
InChIInChI=1S/C28H32N2O4S/c1-19-13-14-25(34-3)24(16-19)30(26(31)18-23-12-7-15-35-23)27(20-8-6-11-22(17-20)33-2)28(32)29-21-9-4-5-10-21/h6-8,11-17,21,27H,4-5,9-10,18H2,1-3H3,(H,29,32)
InChIKeyDOONFHBQCSXAKI-UHFFFAOYSA-N
MW492.64 g/mol
LogP5.45
Rot. Bonds9

About N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide

N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide (PubChem CID 3202707) has the molecular formula C28H32N2O4S and a molecular weight of 492.64 g/mol. Its IUPAC name is N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
PubChem CID3202707
Molecular FormulaC28H32N2O4S
Molecular Weight492.64 g/mol
Exact Mass492.21
IUPAC NameN-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide
SMILESCOc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)c1
InChIInChI=1S/C28H32N2O4S/c1-19-13-14-25(34-3)24(16-19)30(26(31)18-23-12-7-15-35-23)27(20-8-6-11-22(17-20)33-2)28(32)29-21-9-4-5-10-21/h6-8,11-17,21,27H,4-5,9-10,18H2,1-3H3,(H,29,32)
InChIKeyDOONFHBQCSXAKI-UHFFFAOYSA-N
XLogP5.45
TPSA67.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.64
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclopentyl-2-(3-methoxyphenyl)-2-(2-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202708
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
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3202697
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 3191007
(2S)-2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309791
(2R)-2-[1,3-benzodioxol-5-yl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-(3-methoxyphenyl)acetamide
CID 25309769
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
N-cyclopentyl-2-[cyclopropyl-(2-thiophen-2-ylacetyl)amino]-2-(3-methoxyphenyl)acetamide
CID 3202678
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclohexyl-2-(2-methoxy-5-methyl-N-(2-thiophen-3-ylacetyl)anilino)-2-phenylacetamide
CID 3215267

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide?
The IUPAC name of N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide (CID 3202707) is N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide.
What is the SMILES notation for N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide?
The canonical SMILES for N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide is COc1cccc(C(C(=O)NC2CCCC2)N(C(=O)Cc2cccs2)c2cc(C)ccc2OC)c1.
What is the InChIKey of N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide?
The InChIKey is DOONFHBQCSXAKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H32N2O4S/c1-19-13-14-25(34-3)24(16-19)30(26(31)18-23-12-7-15-35-23)27(20-8-6-11-22(17-20)33-2)28(32)29-21-9-4-5-10-21/h6-8,11-17,21,27H,4-5,9-10,18H2,1-3H3,(H,29,32).
What are the key properties of N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide?
N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide has a molecular weight of 492.64 g/mol, XLogP of 5.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(2-methoxy-5-methyl-N-(2-thiophen-2-ylacetyl)anilino)-2-(3-methoxyphenyl)acetamide is sourced from PubChem (CID 3202707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).