(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

C17H17N3OS2 — CID 34852732

IUPAC(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](Sc1nccn1-c1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-13(16(21)19-12-15-8-5-11-22-15)23-17-18-9-10-20(17)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyKPMZFTRUXNWBDM-CYBMUJFWSA-N
MW343.48 g/mol
LogP3.73
Rot. Bonds6

About (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide

(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 34852732) has the molecular formula C17H17N3OS2 and a molecular weight of 343.48 g/mol. Its IUPAC name is (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
PubChem CID34852732
Molecular FormulaC17H17N3OS2
Molecular Weight343.48 g/mol
Exact Mass343.08
IUPAC Name(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@@H](Sc1nccn1-c1ccccc1)C(=O)NCc1cccs1
InChIInChI=1S/C17H17N3OS2/c1-13(16(21)19-12-15-8-5-11-22-15)23-17-18-9-10-20(17)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1
InChIKeyKPMZFTRUXNWBDM-CYBMUJFWSA-N
XLogP3.73
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 53.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-prop-2-enylpropanamide
CID 33235361
N-cyclopentyl-2-(1-phenylimidazol-2-yl)sulfanylpropanamide
CID 71898774
N-benzyl-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 24558232
(2R)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9474968
(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
CID 96526260
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
(2S)-2-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 8738073
(2R)-2-[(5-phenyl-[1,2,4]triazolo[4,3-c]quinazolin-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 92503455
(2S)-2-[[5-(2-methoxyphenyl)-4-methyl-1,2,4-triazol-3-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 8888224
(2R)-2-[3-[(2S)-butan-2-yl]-4-oxoquinazolin-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8727252
2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 75834916

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide (CID 34852732) is (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is C[C@@H](Sc1nccn1-c1ccccc1)C(=O)NCc1cccs1.
What is the InChIKey of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is KPMZFTRUXNWBDM-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H17N3OS2/c1-13(16(21)19-12-15-8-5-11-22-15)23-17-18-9-10-20(17)14-6-3-2-4-7-14/h2-11,13H,12H2,1H3,(H,19,21)/t13-/m1/s1.
What are the key properties of (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide?
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 343.48 g/mol, XLogP of 3.73, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 34852732), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).