2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide

C21H18N4OS — CID 42944877

IUPAC2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
SMILESCC(Sc1nccn1-c1ccccc1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H18N4OS/c1-15(27-21-23-13-14-25(21)16-7-3-2-4-8-16)20(26)24-19-11-5-10-18-17(19)9-6-12-22-18/h2-15H,1H3,(H,24,26)
InChIKeyDNAUMJGPAUFUEW-UHFFFAOYSA-N
MW374.47 g/mol
LogP4.54
Rot. Bonds5

About 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide

2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide (PubChem CID 42944877) has the molecular formula C21H18N4OS and a molecular weight of 374.47 g/mol. Its IUPAC name is 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide.

Molecular Properties

Compound Name2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
PubChem CID42944877
Molecular FormulaC21H18N4OS
Molecular Weight374.47 g/mol
Exact Mass374.12
IUPAC Name2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
SMILESCC(Sc1nccn1-c1ccccc1)C(=O)Nc1cccc2ncccc12
InChIInChI=1S/C21H18N4OS/c1-15(27-21-23-13-14-25(21)16-7-3-2-4-8-16)20(26)24-19-11-5-10-18-17(19)9-6-12-22-18/h2-15H,1H3,(H,24,26)
InChIKeyDNAUMJGPAUFUEW-UHFFFAOYSA-N
XLogP4.54
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.47
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 34854474
2-methylsulfanyl-N-quinolin-5-ylpropanamide
CID 47188211
(2S)-2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-N-(2-fluorophenyl)propanamide
CID 25390555
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 46526290
2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide
CID 55772201
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(2-phenylphenyl)propanamide
CID 41082545
2-[1-(4-bromophenyl)imidazol-2-yl]sulfanyl-N-(2-methoxyphenyl)propanamide
CID 43027335
N-(2-ethoxyphenyl)-2-[1-(3-methoxyphenyl)imidazol-2-yl]sulfanylpropanamide
CID 51235651
(2S)-N-quinolin-5-yl-2-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylsulfanyl)propanamide
CID 31107839
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-phenylpropanamide
CID 46812280
(2R)-N-naphthalen-1-yl-2-[(4-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 40652783

Frequently Asked Questions

What is the IUPAC name of 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The IUPAC name of 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide (CID 42944877) is 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide.
What is the SMILES notation for 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The canonical SMILES for 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide is CC(Sc1nccn1-c1ccccc1)C(=O)Nc1cccc2ncccc12.
What is the InChIKey of 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
The InChIKey is DNAUMJGPAUFUEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H18N4OS/c1-15(27-21-23-13-14-25(21)16-7-3-2-4-8-16)20(26)24-19-11-5-10-18-17(19)9-6-12-22-18/h2-15H,1H3,(H,24,26).
What are the key properties of 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide?
2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide has a molecular weight of 374.47 g/mol, XLogP of 4.54, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-phenylimidazol-2-yl)sulfanyl-N-quinolin-5-ylpropanamide is sourced from PubChem (CID 42944877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).