N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

C25H27N3O3S — CID 3202595

IUPACN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyOMDPNYDTRWTNGA-UHFFFAOYSA-N
MW449.58 g/mol
LogP4.53
Rot. Bonds8

About N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide

N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (PubChem CID 3202595) has the molecular formula C25H27N3O3S and a molecular weight of 449.58 g/mol. Its IUPAC name is N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
PubChem CID3202595
Molecular FormulaC25H27N3O3S
Molecular Weight449.58 g/mol
Exact Mass449.18
IUPAC NameN-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
SMILESCOc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1
InChIInChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30)
InChIKeyOMDPNYDTRWTNGA-UHFFFAOYSA-N
XLogP4.53
TPSA71.53 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.58
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(4-Methoxy-phenyl)-1-methyl-5-thiophen-2-yl-1H-[2,4'']bipyridinyl-6-one
CID 10970792
5-(4-Methoxyphenyl)-1-methyl-3-(4-methylthiophen-2-yl)-6-pyridin-4-ylpyridin-2-one
CID 11784052
3-(pyridin-4-ylmethylsulfanyl)-N-[3-(trifluoromethoxy)phenyl]thiophene-2-carboxamide
CID 23093997
2-(3-methoxyphenyl)-N-(5-pyridin-4-ylthiophen-3-yl)acetamide
CID 60097665
1-Methyl-4-[3-[3-(methylamino)-1-thiophen-2-ylpropoxy]phenyl]-2,3-dihydropyrido[3,4-e][1,4]diazepin-5-one
CID 142566986
N-[(Z)-3-(4-methoxyanilino)-3-oxo-1-pyridin-3-ylprop-1-en-2-yl]thiophene-2-carboxamide
CID 1919175
N-Cyclohexyl-2-{(3-methoxy-phenyl)-[2-(5-thiophen-2-yl-tetrazol-2-yl)-acetyl]-amino}-2-pyridin-4-yl-acetamide
CID 3190174
N-Cyclohexyl-2-[(4-methoxy-phenyl)-(2-thiophen-2-yl-acetyl)-amino]-2-(1-methyl-1H-pyrrol-2-yl)-acetamide
CID 3191195
N-Cyclopentyl-2-[(2-methoxy-benzyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202578
N-Cyclopentyl-2-[(4-methoxy-benzyl)-(2-thiophen-2-yl-acetyl)-amino]-2-pyridin-4-yl-acetamide
CID 3202579
N-Cyclopentyl-2-(2,4-dimethoxy-phenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3202633
N-Cyclopentyl-2-(3-methoxy-phenyl)-2-[pyridin-3-ylmethyl-(2-thiophen-2-yl-acetyl)-amino]-acetamide
CID 3202684

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The IUPAC name of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide (CID 3202595) is N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide.
What is the SMILES notation for N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The canonical SMILES for N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is COc1cccc(N(C(=O)Cc2cccs2)C(C(=O)NC2CCCC2)c2ccncc2)c1.
What is the InChIKey of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
The InChIKey is OMDPNYDTRWTNGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N3O3S/c1-31-21-9-4-8-20(16-21)28(23(29)17-22-10-5-15-32-22)24(18-11-13-26-14-12-18)25(30)27-19-6-2-3-7-19/h4-5,8-16,19,24H,2-3,6-7,17H2,1H3,(H,27,30).
What are the key properties of N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide?
N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide has a molecular weight of 449.58 g/mol, XLogP of 4.53, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide is sourced from PubChem (CID 3202595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).