N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide

C25H22ClN3O2S — CID 23858757

IUPACN-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H22ClN3O2S/c1-16(24(30)27-20-15-19(26)13-14-21(20)31-2)32-25-28-22(17-9-5-3-6-10-17)23(29-25)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,27,30)(H,28,29)
InChIKeyHYRSAUNXHFHYTR-UHFFFAOYSA-N
MW463.99 g/mol
LogP6.53
Rot. Bonds7

About N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide

N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide (PubChem CID 23858757) has the molecular formula C25H22ClN3O2S and a molecular weight of 463.99 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
PubChem CID23858757
Molecular FormulaC25H22ClN3O2S
Molecular Weight463.99 g/mol
Exact Mass463.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc(Cl)cc1NC(=O)C(C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1
InChIInChI=1S/C25H22ClN3O2S/c1-16(24(30)27-20-15-19(26)13-14-21(20)31-2)32-25-28-22(17-9-5-3-6-10-17)23(29-25)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,27,30)(H,28,29)
InChIKeyHYRSAUNXHFHYTR-UHFFFAOYSA-N
XLogP6.53
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.99
LogP ≤ 56.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-(5-chloro-2-methoxyphenyl)-2-[[4-(4-chlorophenyl)-5-cyano-6-oxo-1H-pyrimidin-2-yl]sulfanyl]propanamide
CID 135938011
N-(3,5-dimethoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide
CID 23970510
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2563340
(2S)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-propan-2-ylpropanamide
CID 9457048
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(6-oxo-4-propyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552291
(2R)-N-(5-chloro-2-methoxyphenyl)-2-[(6-methyl-5-oxo-4H-1,2,4-triazin-3-yl)sulfanyl]propanamide
CID 135552557
(2S)-N-(5-chloro-2-methoxyphenyl)-2-(2,6-dichlorophenyl)sulfanylpropanamide
CID 7466943
4-[2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanoylamino]benzoic acid
CID 23942557
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)sulfanyl]propanamide
CID 7415744
3-[[4,5-bis(4-methylphenyl)-1H-imidazol-2-yl]sulfanyl]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 23775143
(2R)-N-(3-chloro-4-methoxyphenyl)-2-[(5-cyano-6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136902250
(2R)-N-(5-chloro-2-methylphenyl)-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 135552301

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide (CID 23858757) is N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide is COc1ccc(Cl)cc1NC(=O)C(C)Sc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
The InChIKey is HYRSAUNXHFHYTR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22ClN3O2S/c1-16(24(30)27-20-15-19(26)13-14-21(20)31-2)32-25-28-22(17-9-5-3-6-10-17)23(29-25)18-11-7-4-8-12-18/h3-16H,1-2H3,(H,27,30)(H,28,29).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide?
N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide has a molecular weight of 463.99 g/mol, XLogP of 6.53, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 23858757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).