(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide

C19H19ClN4OS — CID 40670790

IUPAC(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H19ClN4OS/c1-3-24-16(14-7-5-4-6-8-14)12-22-19(24)26-13(2)18(25)23-17-10-9-15(20)11-21-17/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m0/s1
InChIKeyVIKOIAGPQMLKKD-ZDUSSCGKSA-N
MW386.91 g/mol
LogP4.74
Rot. Bonds6

About (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide

(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide (PubChem CID 40670790) has the molecular formula C19H19ClN4OS and a molecular weight of 386.91 g/mol. Its IUPAC name is (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
PubChem CID40670790
Molecular FormulaC19H19ClN4OS
Molecular Weight386.91 g/mol
Exact Mass386.10
IUPAC Name(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1
InChIInChI=1S/C19H19ClN4OS/c1-3-24-16(14-7-5-4-6-8-14)12-22-19(24)26-13(2)18(25)23-17-10-9-15(20)11-21-17/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m0/s1
InChIKeyVIKOIAGPQMLKKD-ZDUSSCGKSA-N
XLogP4.74
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.91
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-pyridinyl)-2-[(4-methyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 78285132
(2S)-2-(3-butyl-4-oxoquinazolin-2-yl)sulfanyl-N-(5-chloro-2-pyridinyl)propanamide
CID 9329578
(2S)-2-[[5-(4-chlorophenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 2603225
(2R)-N-(5-chloro-2-pyridinyl)-2-[[4-ethyl-5-(2-methylfuran-3-yl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 7651756
(2S)-2-[[4-amino-5-(4-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 40797731
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 2630257
(2R)-N-(5-chloro-2-pyridinyl)-2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanylpropanamide
CID 9407482
(2S)-2-[[4-(1,3-benzodioxol-5-ylmethyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 41230078
(2S)-N-(5-chloro-2-pyridinyl)-2-[3-(2-methoxyethyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7986631
(2R)-2-[[4-amino-5-(2-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7955121
(2S)-2-[[4-amino-5-(2-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-(5-chloro-2-pyridinyl)propanamide
CID 7269820
(2R)-N-(5-chloro-2-pyridinyl)-2-[[4-phenyl-5-(pyrrolidin-1-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 40797211

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide (CID 40670790) is (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide is CCn1c(-c2ccccc2)cnc1S[C@@H](C)C(=O)Nc1ccc(Cl)cn1.
What is the InChIKey of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is VIKOIAGPQMLKKD-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19ClN4OS/c1-3-24-16(14-7-5-4-6-8-14)12-22-19(24)26-13(2)18(25)23-17-10-9-15(20)11-21-17/h4-13H,3H2,1-2H3,(H,21,23,25)/t13-/m0/s1.
What are the key properties of (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide?
(2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 386.91 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(5-chloro-2-pyridinyl)-2-(1-ethyl-5-phenylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40670790), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).