(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide

C18H18ClN3OS — CID 41463586

IUPAC(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C18H18ClN3OS/c1-13(24-16-7-5-14(19)6-8-16)18(23)20-10-9-15-12-22-11-3-2-4-17(22)21-15/h2-8,11-13H,9-10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGZLCLAZHKDOVPK-ZDUSSCGKSA-N
MW359.88 g/mol
LogP3.83
Rot. Bonds6

About (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide

(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide (PubChem CID 41463586) has the molecular formula C18H18ClN3OS and a molecular weight of 359.88 g/mol. Its IUPAC name is (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
PubChem CID41463586
Molecular FormulaC18H18ClN3OS
Molecular Weight359.88 g/mol
Exact Mass359.09
IUPAC Name(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1
InChIInChI=1S/C18H18ClN3OS/c1-13(24-16-7-5-14(19)6-8-16)18(23)20-10-9-15-12-22-11-3-2-4-17(22)21-15/h2-8,11-13H,9-10H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyGZLCLAZHKDOVPK-ZDUSSCGKSA-N
XLogP3.83
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.88
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(2S)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]benzamide
CID 25350163
5-chloro-2-fluoro-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)benzamide
CID 25430229
2,4-dichloro-N-[1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methylsulfanyl-1-oxobutan-2-yl]benzamide
CID 55518714
1-[2-(4-chlorophenoxy)propyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111680376
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-3-methyl-2-[(2-phenylacetyl)amino]butanamide
CID 55518882
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-4-methyl-1-oxopentan-2-yl]-2-methylbenzamide
CID 32832494
2-(4-tert-butylphenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)acetamide
CID 31008586
1-[2-(2-chlorophenyl)ethyl]-3-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methylguanidine
CID 111882473
N-(2-imidazo[1,2-a]pyridin-2-ylethyl)-2-methyl-5-methylsulfanylbenzamide
CID 37275406
N-[(2R)-1-(2-imidazo[1,2-a]pyridin-2-ylethylamino)-3-methyl-1-oxobutan-2-yl]cyclohexanecarboxamide
CID 31008557
2-(4-chlorophenyl)sulfanyl-N-[2-(N-methylanilino)ethyl]propanamide
CID 132652946
(2E,4E)-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)hexa-2,4-dienamide
CID 32831562

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide?
The IUPAC name of (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide (CID 41463586) is (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide.
What is the SMILES notation for (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide?
The canonical SMILES for (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)NCCc1cn2ccccc2n1.
What is the InChIKey of (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide?
The InChIKey is GZLCLAZHKDOVPK-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H18ClN3OS/c1-13(24-16-7-5-14(19)6-8-16)18(23)20-10-9-15-12-22-11-3-2-4-17(22)21-15/h2-8,11-13H,9-10H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide?
(2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide has a molecular weight of 359.88 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(4-chlorophenyl)sulfanyl-N-(2-imidazo[1,2-a]pyridin-2-ylethyl)propanamide is sourced from PubChem (CID 41463586), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).