(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

C18H17ClN4O4S — CID 92736143

IUPAC(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)o2)cc1Cl
InChIInChI=1S/C18H17ClN4O4S/c1-10(28-18-23-22-17(27-18)11-4-6-20-7-5-11)16(24)21-13-8-12(19)14(25-2)9-15(13)26-3/h4-10H,1-3H3,(H,21,24)/t10-/m1/s1
InChIKeyCPDKORAZWFFZMC-SNVBAGLBSA-N
MW420.88 g/mol
LogP3.92
Rot. Bonds7

About (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide

(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (PubChem CID 92736143) has the molecular formula C18H17ClN4O4S and a molecular weight of 420.88 g/mol. Its IUPAC name is (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
PubChem CID92736143
Molecular FormulaC18H17ClN4O4S
Molecular Weight420.88 g/mol
Exact Mass420.07
IUPAC Name(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
SMILESCOc1cc(OC)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)o2)cc1Cl
InChIInChI=1S/C18H17ClN4O4S/c1-10(28-18-23-22-17(27-18)11-4-6-20-7-5-11)16(24)21-13-8-12(19)14(25-2)9-15(13)26-3/h4-10H,1-3H3,(H,21,24)/t10-/m1/s1
InChIKeyCPDKORAZWFFZMC-SNVBAGLBSA-N
XLogP3.92
TPSA99.37 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.88
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-(3,5-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 16541787
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CID 2592868
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[5-(furan-2-yl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7808577
(2R)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide
CID 1170468
(2S)-N-(2-chlorophenyl)-2-[[5-(3,4-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 8851367
(2S)-N-(2-chlorophenyl)-2-[[5-(3,5-dimethylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 9308008
N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 23970433
N-(4-chlorophenyl)-2-[[5-(4-chlorophenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 78564518
(2R)-N-phenyl-2-[[5-(3,4,5-trimethoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propanamide
CID 7458502
(2S)-2-[[5-(4-methoxyphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]-N-(2-methylphenyl)propanamide
CID 2579369

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide (CID 92736143) is (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is COc1cc(OC)c(NC(=O)[C@@H](C)Sc2nnc(-c3ccncc3)o2)cc1Cl.
What is the InChIKey of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
The InChIKey is CPDKORAZWFFZMC-SNVBAGLBSA-N. The full InChI is InChI=1S/C18H17ClN4O4S/c1-10(28-18-23-22-17(27-18)11-4-6-20-7-5-11)16(24)21-13-8-12(19)14(25-2)9-15(13)26-3/h4-10H,1-3H3,(H,21,24)/t10-/m1/s1.
What are the key properties of (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide?
(2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide has a molecular weight of 420.88 g/mol, XLogP of 3.92, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(5-chloro-2,4-dimethoxyphenyl)-2-[(5-pyridin-4-yl-1,3,4-oxadiazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 92736143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).