(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide

C18H17Cl2N3OS — CID 7246434

IUPAC(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C18H17Cl2N3OS/c1-3-23-15-10-5-4-8-13(15)22-18(23)25-11(2)17(24)21-14-9-6-7-12(19)16(14)20/h4-11H,3H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyZYFGGLBOEKYNPV-LLVKDONJSA-N
MW394.33 g/mol
LogP5.48
Rot. Bonds5

About (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide

(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 7246434) has the molecular formula C18H17Cl2N3OS and a molecular weight of 394.33 g/mol. Its IUPAC name is (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID7246434
Molecular FormulaC18H17Cl2N3OS
Molecular Weight394.33 g/mol
Exact Mass393.05
IUPAC Name(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
SMILESCCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21
InChIInChI=1S/C18H17Cl2N3OS/c1-3-23-15-10-5-4-8-13(15)22-18(23)25-11(2)17(24)21-14-9-6-7-12(19)16(14)20/h4-11H,3H2,1-2H3,(H,21,24)/t11-/m1/s1
InChIKeyZYFGGLBOEKYNPV-LLVKDONJSA-N
XLogP5.48
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.33
LogP ≤ 55.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
N-(2,3-dichlorophenyl)-2-(4-oxo-3-propylquinazolin-2-yl)sulfanylpropanamide
CID 16535583
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
N-(3-chloro-2-methylphenyl)-2-(1-methylbenzimidazol-2-yl)sulfanylpropanamide
CID 46630033
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
CID 7171444
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2S)-1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7171396
N-(2,3-dichlorophenyl)-2-[(4-ethyl-5-pyridin-2-yl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 112770653
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
2-(1-benzylbenzimidazol-2-yl)sulfanyl-N-(2-chloro-4-methylphenyl)propanamide
CID 70695921
N-(2,3-dichlorophenyl)-2-[3-(4-ethylphenyl)-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 23879743

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide (CID 7246434) is (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide is CCn1c(S[C@H](C)C(=O)Nc2cccc(Cl)c2Cl)nc2ccccc21.
What is the InChIKey of (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is ZYFGGLBOEKYNPV-LLVKDONJSA-N. The full InChI is InChI=1S/C18H17Cl2N3OS/c1-3-23-15-10-5-4-8-13(15)22-18(23)25-11(2)17(24)21-14-9-6-7-12(19)16(14)20/h4-11H,3H2,1-2H3,(H,21,24)/t11-/m1/s1.
What are the key properties of (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide?
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 394.33 g/mol, XLogP of 5.48, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 7246434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).