(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide

C11H13N3OS2 — CID 96526260

IUPAC(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](Sc1ncc[nH]1)C(=O)NCc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8(17-11-12-4-5-13-11)10(15)14-7-9-3-2-6-16-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDRGGVMZHYJRGSU-QMMMGPOBSA-N
MW267.38 g/mol
LogP2.27
Rot. Bonds5

About (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide

(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide (PubChem CID 96526260) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
PubChem CID96526260
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide
SMILESC[C@H](Sc1ncc[nH]1)C(=O)NCc1cccs1
InChIInChI=1S/C11H13N3OS2/c1-8(17-11-12-4-5-13-11)10(15)14-7-9-3-2-6-16-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1
InChIKeyDRGGVMZHYJRGSU-QMMMGPOBSA-N
XLogP2.27
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[(6-oxo-1,7-dihydropurin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 136911988
2-quinolin-2-ylsulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 17438384
(2R)-2-(1-phenylimidazol-2-yl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 34852732
(2S)-2-[(4-oxo-3,5,6,7-tetrahydrocyclopenta[d]pyrimidin-2-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 136758009
(2S)-2-(2,4-dimethylphenyl)sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 8734748
2-[(5-propyl-1H-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 18158250
N-(3-amino-2-methylphenyl)-2-(1H-imidazol-2-ylsulfanyl)propanamide
CID 107779802
2-(hydroxymethyl)-3-methyl-N-(thiophen-2-ylmethyl)butanamide
CID 115187274
(2S)-2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(thiophen-2-ylmethyl)propanamide
CID 27959873
2-methyl-3-oxo-3-(thiophen-2-ylmethylamino)propanoic acid
CID 114897313
(2S)-2-[[4-(4-fluorophenyl)-5-sulfanylidene-1,3,4-thiadiazol-2-yl]sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 8882650
(2R)-2-[(1-phenyl-5-propan-2-yl-1,2,4-triazol-3-yl)sulfanyl]-N-(thiophen-2-ylmethyl)propanamide
CID 9474968

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide?
The IUPAC name of (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide (CID 96526260) is (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide.
What is the SMILES notation for (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide?
The canonical SMILES for (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide is C[C@H](Sc1ncc[nH]1)C(=O)NCc1cccs1.
What is the InChIKey of (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide?
The InChIKey is DRGGVMZHYJRGSU-QMMMGPOBSA-N. The full InChI is InChI=1S/C11H13N3OS2/c1-8(17-11-12-4-5-13-11)10(15)14-7-9-3-2-6-16-9/h2-6,8H,7H2,1H3,(H,12,13)(H,14,15)/t8-/m0/s1.
What are the key properties of (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide?
(2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide has a molecular weight of 267.38 g/mol, XLogP of 2.27, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1H-imidazol-2-ylsulfanyl)-N-(thiophen-2-ylmethyl)propanamide is sourced from PubChem (CID 96526260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).