(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

C18H19N3O2S — CID 7152425

IUPAC(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc2nc(S[C@@H](C)C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-12(17(22)19-11-13-6-4-3-5-7-13)24-18-20-15-9-8-14(23-2)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyLBBFPWWJSXZJFX-LBPRGKRZSA-N
MW341.44 g/mol
LogP3.37
Rot. Bonds6

About (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 7152425) has the molecular formula C18H19N3O2S and a molecular weight of 341.44 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
PubChem CID7152425
Molecular FormulaC18H19N3O2S
Molecular Weight341.44 g/mol
Exact Mass341.12
IUPAC Name(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCOc1ccc2nc(S[C@@H](C)C(=O)NCc3ccccc3)[nH]c2c1
InChIInChI=1S/C18H19N3O2S/c1-12(17(22)19-11-13-6-4-3-5-7-13)24-18-20-15-9-8-14(23-2)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1
InChIKeyLBBFPWWJSXZJFX-LBPRGKRZSA-N
XLogP3.37
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(2-methoxyphenyl)methyl]propanamide
CID 46620892
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-phenylpropyl)propanamide
CID 42985395
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-phenylmethoxyphenyl)propanamide
CID 18275245
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46629807
N-(cyclohexylmethyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 42974172
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenyl-N-[(4-sulfamoylphenyl)methyl]acetamide
CID 132953917
N-(4-acetamidophenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 4817499
(2S)-N-benzyl-2-(4-methoxyphenyl)sulfanylpropanamide
CID 8907417
2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 1348333
(2S)-N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 6543556
N-[(4-methoxyphenyl)methyl]-2-phenylsulfanylpropanamide
CID 2897100
2-[(4-amino-6-oxo-1H-pyrimidin-2-yl)sulfanyl]-N-[(4-methoxyphenyl)methyl]propanamide
CID 135703427

Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide (CID 7152425) is (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide is COc1ccc2nc(S[C@@H](C)C(=O)NCc3ccccc3)[nH]c2c1.
What is the InChIKey of (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is LBBFPWWJSXZJFX-LBPRGKRZSA-N. The full InChI is InChI=1S/C18H19N3O2S/c1-12(17(22)19-11-13-6-4-3-5-7-13)24-18-20-15-9-8-14(23-2)10-16(15)21-18/h3-10,12H,11H2,1-2H3,(H,19,22)(H,20,21)/t12-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
(2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 341.44 g/mol, XLogP of 3.37, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-benzyl-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 7152425), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).