(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide

C24H24ClN3O2S — CID 1436017

IUPAC(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)28(22(29)16-21-6-3-15-31-21)23(17-11-13-26-14-12-17)24(30)27-19-4-1-2-5-19/h3,6-15,19,23H,1-2,4-5,16H2,(H,27,30)/t23-/m0/s1
InChIKeyKIXMSIJZLKVJKE-QHCPKHFHSA-N
MW454.00 g/mol
LogP5.17
Rot. Bonds7

About (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide

(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide (PubChem CID 1436017) has the molecular formula C24H24ClN3O2S and a molecular weight of 454.00 g/mol. Its IUPAC name is (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide.

Molecular Properties

Compound Name(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
PubChem CID1436017
Molecular FormulaC24H24ClN3O2S
Molecular Weight454.00 g/mol
Exact Mass453.13
IUPAC Name(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide
SMILESO=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1
InChIInChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)28(22(29)16-21-6-3-15-31-21)23(17-11-13-26-14-12-17)24(30)27-19-4-1-2-5-19/h3,6-15,19,23H,1-2,4-5,16H2,(H,27,30)/t23-/m0/s1
InChIKeyKIXMSIJZLKVJKE-QHCPKHFHSA-N
XLogP5.17
TPSA62.30 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500454.00
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cyclopentyl-2-pyridin-4-yl-2-(N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202613
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
N-cyclopentyl-2-(2,6-dimethyl-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3202609
2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(3-methoxyphenyl)acetamide
CID 3202697
N-cyclopentyl-2-pyridin-4-yl-2-(2,4,6-trimethyl-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202608
2-(4-chlorophenyl)-N-cyclopentyl-2-(3-methoxy-N-(2-thiophen-2-ylacetyl)anilino)acetamide
CID 3202553
N-cyclohexyl-2-(3-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-4-ylacetamide
CID 3191107
(2R)-2-(4-chlorophenyl)-N-cyclohexyl-2-[(2-thiophen-2-ylacetyl)-(thiophen-2-ylmethyl)amino]acetamide
CID 1441603
2-(4-acetyl-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-(4-methylphenyl)acetamide
CID 3202897
(2S)-2-[(2-chlorophenyl)methyl-(2-thiophen-2-ylacetyl)amino]-N-cyclohexyl-2-pyridin-4-ylacetamide
CID 1437711
N-cyclohexyl-2-(4-ethoxy-N-(2-thiophen-2-ylacetyl)anilino)-2-pyridin-3-ylacetamide
CID 3191129

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide?
The IUPAC name of (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide (CID 1436017) is (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide.
What is the SMILES notation for (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide?
The canonical SMILES for (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide is O=C(NC1CCCC1)[C@H](c1ccncc1)N(C(=O)Cc1cccs1)c1ccc(Cl)cc1.
What is the InChIKey of (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide?
The InChIKey is KIXMSIJZLKVJKE-QHCPKHFHSA-N. The full InChI is InChI=1S/C24H24ClN3O2S/c25-18-7-9-20(10-8-18)28(22(29)16-21-6-3-15-31-21)23(17-11-13-26-14-12-17)24(30)27-19-4-1-2-5-19/h3,6-15,19,23H,1-2,4-5,16H2,(H,27,30)/t23-/m0/s1.
What are the key properties of (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide?
(2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide has a molecular weight of 454.00 g/mol, XLogP of 5.17, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chloro-N-(2-thiophen-2-ylacetyl)anilino)-N-cyclopentyl-2-pyridin-4-ylacetamide is sourced from PubChem (CID 1436017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).