(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide

C20H23N3OS — CID 7171358

IUPAC(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H23N3OS/c1-4-15-10-12-16(13-11-15)21-19(24)14(3)25-20-22-17-8-6-7-9-18(17)23(20)5-2/h6-14H,4-5H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyFVSABYVDTMASKZ-AWEZNQCLSA-N
MW353.49 g/mol
LogP4.74
Rot. Bonds6

About (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide

(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide (PubChem CID 7171358) has the molecular formula C20H23N3OS and a molecular weight of 353.49 g/mol. Its IUPAC name is (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide.

Molecular Properties

Compound Name(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
PubChem CID7171358
Molecular FormulaC20H23N3OS
Molecular Weight353.49 g/mol
Exact Mass353.16
IUPAC Name(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
SMILESCCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2CC)cc1
InChIInChI=1S/C20H23N3OS/c1-4-15-10-12-16(13-11-15)21-19(24)14(3)25-20-22-17-8-6-7-9-18(17)23(20)5-2/h6-14H,4-5H2,1-3H3,(H,21,24)/t14-/m0/s1
InChIKeyFVSABYVDTMASKZ-AWEZNQCLSA-N
XLogP4.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 54.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46574997
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 16526343
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
(2R)-N-(4-ethylphenyl)-2-[3-(3-methylbutyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 7465770
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[(2R)-4-phenylbutan-2-yl]propanamide
CID 40716255
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
N-(4-ethylphenyl)-2-[4-oxo-3-(3-propan-2-yloxypropyl)quinazolin-2-yl]sulfanylpropanamide
CID 16510449
(2R)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanyl-N-(4-morpholin-4-ylphenyl)propanamide
CID 40785630

Frequently Asked Questions

What is the IUPAC name of (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide?
The IUPAC name of (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide (CID 7171358) is (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide.
What is the SMILES notation for (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide?
The canonical SMILES for (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide is CCc1ccc(NC(=O)[C@H](C)Sc2nc3ccccc3n2CC)cc1.
What is the InChIKey of (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide?
The InChIKey is FVSABYVDTMASKZ-AWEZNQCLSA-N. The full InChI is InChI=1S/C20H23N3OS/c1-4-15-10-12-16(13-11-15)21-19(24)14(3)25-20-22-17-8-6-7-9-18(17)23(20)5-2/h6-14H,4-5H2,1-3H3,(H,21,24)/t14-/m0/s1.
What are the key properties of (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide?
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide has a molecular weight of 353.49 g/mol, XLogP of 4.74, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide is sourced from PubChem (CID 7171358), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).