(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide

C19H21N3OS — CID 40633499

IUPAC(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-3-22-17-12-8-7-11-16(17)21-19(22)24-14(2)18(23)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyIIQURMFGZYUVFS-AWEZNQCLSA-N
MW339.46 g/mol
LogP3.85
Rot. Bonds6

About (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide

(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 40633499) has the molecular formula C19H21N3OS and a molecular weight of 339.46 g/mol. Its IUPAC name is (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID40633499
Molecular FormulaC19H21N3OS
Molecular Weight339.46 g/mol
Exact Mass339.14
IUPAC Name(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2ccccc21
InChIInChI=1S/C19H21N3OS/c1-3-22-17-12-8-7-11-16(17)21-19(22)24-14(2)18(23)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1
InChIKeyIIQURMFGZYUVFS-AWEZNQCLSA-N
XLogP3.85
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.46
LogP ≤ 53.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-[(4-methylphenyl)methyl]propanamide
CID 51234387
(2R)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674923
(2S)-N-benzyl-2-(3-ethyl-4-oxobenzo[g]quinazolin-2-yl)sulfanylpropanamide
CID 8674922
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
(2R)-2-(1-hexylbenzimidazol-2-yl)sulfanyl-N-[(4-methoxyphenyl)methyl]propanamide
CID 7173088
(2R)-N-benzyl-2-(1-ethyl-5-morpholin-4-ylsulfonylbenzimidazol-2-yl)sulfanylpropanamide
CID 41156539
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 40654359
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide (CID 40633499) is (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide is CCn1c(S[C@@H](C)C(=O)NCc2ccccc2)nc2ccccc21.
What is the InChIKey of (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is IIQURMFGZYUVFS-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H21N3OS/c1-3-22-17-12-8-7-11-16(17)21-19(22)24-14(2)18(23)20-13-15-9-5-4-6-10-15/h4-12,14H,3,13H2,1-2H3,(H,20,23)/t14-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 339.46 g/mol, XLogP of 3.85, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40633499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).