N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

C30H31N3O3S — CID 3184897

IUPACN-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C30H31N3O3S/c1-36-25-15-13-21(14-16-25)29(30(35)32-23-9-3-2-4-10-23)33(28(34)19-26-11-7-17-37-26)24-18-22-8-5-6-12-27(22)31-20-24/h5-8,11-18,20,23,29H,2-4,9-10,19H2,1H3,(H,32,35)
InChIKeyOKNQKITXFAYEIF-UHFFFAOYSA-N
MW513.66 g/mol
LogP6.07
Rot. Bonds8

About N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide

N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (PubChem CID 3184897) has the molecular formula C30H31N3O3S and a molecular weight of 513.66 g/mol. Its IUPAC name is N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
PubChem CID3184897
Molecular FormulaC30H31N3O3S
Molecular Weight513.66 g/mol
Exact Mass513.21
IUPAC NameN-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide
SMILESCOc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2cnc3ccccc3c2)cc1
InChIInChI=1S/C30H31N3O3S/c1-36-25-15-13-21(14-16-25)29(30(35)32-23-9-3-2-4-10-23)33(28(34)19-26-11-7-17-37-26)24-18-22-8-5-6-12-27(22)31-20-24/h5-8,11-18,20,23,29H,2-4,9-10,19H2,1H3,(H,32,35)
InChIKeyOKNQKITXFAYEIF-UHFFFAOYSA-N
XLogP6.07
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.66
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-cyclohexyl-2-(3,5-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168246
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-acetamido-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclohexyl-2-(4-methoxyphenyl)acetamide
CID 3184889
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202734
N-cyclopentyl-2-(3-methoxyphenyl)-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202719
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
2-(2-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methoxyphenyl)acetamide
CID 3202731
N-cyclopentyl-2-(3-methoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202705
(2R)-N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-(4-hydroxyphenyl)acetamide
CID 1168242
N-cyclopentyl-2-(3,4-dimethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-phenylacetamide
CID 3202943
(2S)-N-cyclohexyl-2-(3,4-dimethoxyphenyl)-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 1167775

Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The IUPAC name of N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide (CID 3184897) is N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide.
What is the SMILES notation for N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The canonical SMILES for N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is COc1ccc(C(C(=O)NC2CCCCC2)N(C(=O)Cc2cccs2)c2cnc3ccccc3c2)cc1.
What is the InChIKey of N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
The InChIKey is OKNQKITXFAYEIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31N3O3S/c1-36-25-15-13-21(14-16-25)29(30(35)32-23-9-3-2-4-10-23)33(28(34)19-26-11-7-17-37-26)24-18-22-8-5-6-12-27(22)31-20-24/h5-8,11-18,20,23,29H,2-4,9-10,19H2,1H3,(H,32,35).
What are the key properties of N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide?
N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide has a molecular weight of 513.66 g/mol, XLogP of 6.07, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-(4-methoxyphenyl)-2-[quinolin-3-yl-(2-thiophen-2-ylacetyl)amino]acetamide is sourced from PubChem (CID 3184897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).