(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

C16H18ClN3OS — CID 25416730

IUPAC(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1C1CC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3OS/c1-11(22-16-18-8-9-20(16)14-6-7-14)15(21)19-10-12-2-4-13(17)5-3-12/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyWQERELSAFDKPGZ-LLVKDONJSA-N
MW335.86 g/mol
LogP3.67
Rot. Bonds6

About (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide

(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (PubChem CID 25416730) has the molecular formula C16H18ClN3OS and a molecular weight of 335.86 g/mol. Its IUPAC name is (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
PubChem CID25416730
Molecular FormulaC16H18ClN3OS
Molecular Weight335.86 g/mol
Exact Mass335.09
IUPAC Name(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
SMILESC[C@@H](Sc1nccn1C1CC1)C(=O)NCc1ccc(Cl)cc1
InChIInChI=1S/C16H18ClN3OS/c1-11(22-16-18-8-9-20(16)14-6-7-14)15(21)19-10-12-2-4-13(17)5-3-12/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,21)/t11-/m1/s1
InChIKeyWQERELSAFDKPGZ-LLVKDONJSA-N
XLogP3.67
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500335.86
LogP ≤ 53.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-tert-butyl-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide
CID 46695811
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)propanamide
CID 46688714
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]propanamide
CID 36834661
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-phenylmethoxyphenyl)propanamide
CID 16587948
2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]acetamide
CID 17438297
N-[(4-chlorophenyl)methyl]-2-[1-(oxolan-2-ylmethyl)tetrazol-5-yl]sulfanylpropanamide
CID 51259247
(2S)-N-[(4-chlorophenyl)methyl]-2-(4-methylphenyl)sulfanylpropanamide
CID 848333
(2S)-2-[(4-cyclopropyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-fluorophenyl)methyl]propanamide
CID 8959736
(2S)-2-[(4-cyclopropyl-5-oxo-1H-1,2,4-triazol-3-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 8889934
(2S)-2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-[(1R)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 25345475
2-[2-(1-cyclopropylimidazol-2-yl)sulfanylpropanoylamino]thiophene-3-carboxamide
CID 18141467
2-(1-cyclopropyltetrazol-5-yl)sulfanyl-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]propanamide
CID 55974390

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide (CID 25416730) is (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is C[C@@H](Sc1nccn1C1CC1)C(=O)NCc1ccc(Cl)cc1.
What is the InChIKey of (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is WQERELSAFDKPGZ-LLVKDONJSA-N. The full InChI is InChI=1S/C16H18ClN3OS/c1-11(22-16-18-8-9-20(16)14-6-7-14)15(21)19-10-12-2-4-13(17)5-3-12/h2-5,8-9,11,14H,6-7,10H2,1H3,(H,19,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide?
(2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 335.86 g/mol, XLogP of 3.67, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[(4-chlorophenyl)methyl]-2-(1-cyclopropylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 25416730), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).