(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide

C18H24N4OS — CID 7152368

IUPAC(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N4OS/c1-13(17(23)20-15-10-6-3-7-11-15)24-18-21-16(12-22(18)19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyUIXYYBLUXOOWEN-ZDUSSCGKSA-N
MW344.48 g/mol
LogP3.19
Rot. Bonds5

About (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide

(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide (PubChem CID 7152368) has the molecular formula C18H24N4OS and a molecular weight of 344.48 g/mol. Its IUPAC name is (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide.

Molecular Properties

Compound Name(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide
PubChem CID7152368
Molecular FormulaC18H24N4OS
Molecular Weight344.48 g/mol
Exact Mass344.17
IUPAC Name(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide
SMILESC[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC1CCCCC1
InChIInChI=1S/C18H24N4OS/c1-13(17(23)20-15-10-6-3-7-11-15)24-18-21-16(12-22(18)19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11,19H2,1H3,(H,20,23)/t13-/m0/s1
InChIKeyUIXYYBLUXOOWEN-ZDUSSCGKSA-N
XLogP3.19
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.48
LogP ≤ 53.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-(4-pyrrolidin-1-ylsulfonylphenyl)propanamide
CID 41188293
(2R)-N-cyclohexyl-2-[(6-oxo-4-phenyl-1H-pyrimidin-2-yl)sulfanyl]propanamide
CID 136807791
(2R)-N-cyclopentyl-2-[(4,5-diphenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 2632076
(2S)-N-cyclohexyl-2-[4-phenyl-6-(trifluoromethyl)pyrimidin-2-yl]sulfanylpropanamide
CID 1152130
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
(2S)-2-[[4-amino-5-(2-fluorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40622885
2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-1-(2,3-dihydroindol-1-yl)propan-1-one
CID 4819371
N-cyclohexyl-2-(3-cyclopropyl-4-oxoquinazolin-2-yl)sulfanylpropanamide
CID 51217033
(2R)-2-[[4-amino-5-(3-chlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 40609741
(2S)-N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 2550334
N-(cyclohexylcarbamoyl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
CID 4779584
N-cyclopentyl-2-[[4-(4-methoxyphenyl)-5-phenyl-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 112781817

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide?
The IUPAC name of (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide (CID 7152368) is (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide.
What is the SMILES notation for (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide?
The canonical SMILES for (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide is C[C@H](Sc1nc(-c2ccccc2)cn1N)C(=O)NC1CCCCC1.
What is the InChIKey of (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide?
The InChIKey is UIXYYBLUXOOWEN-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H24N4OS/c1-13(17(23)20-15-10-6-3-7-11-15)24-18-21-16(12-22(18)19)14-8-4-2-5-9-14/h2,4-5,8-9,12-13,15H,3,6-7,10-11,19H2,1H3,(H,20,23)/t13-/m0/s1.
What are the key properties of (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide?
(2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide has a molecular weight of 344.48 g/mol, XLogP of 3.19, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-amino-4-phenylimidazol-2-yl)sulfanyl-N-cyclohexylpropanamide is sourced from PubChem (CID 7152368), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).