4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide

C19H20N4O2S — CID 7171444

IUPAC4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
SMILESCCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-3-23-16-7-5-4-6-15(16)22-19(23)26-12(2)18(25)21-14-10-8-13(9-11-14)17(20)24/h4-12H,3H2,1-2H3,(H2,20,24)(H,21,25)/t12-/m1/s1
InChIKeySYEQBKDJHIBFDZ-GFCCVEGCSA-N
MW368.46 g/mol
LogP3.27
Rot. Bonds6

About 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide

4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide (PubChem CID 7171444) has the molecular formula C19H20N4O2S and a molecular weight of 368.46 g/mol. Its IUPAC name is 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide.

Molecular Properties

Compound Name4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
PubChem CID7171444
Molecular FormulaC19H20N4O2S
Molecular Weight368.46 g/mol
Exact Mass368.13
IUPAC Name4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide
SMILESCCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc21
InChIInChI=1S/C19H20N4O2S/c1-3-23-16-7-5-4-6-15(16)22-19(23)26-12(2)18(25)21-14-10-8-13(9-11-14)17(20)24/h4-12H,3H2,1-2H3,(H2,20,24)(H,21,25)/t12-/m1/s1
InChIKeySYEQBKDJHIBFDZ-GFCCVEGCSA-N
XLogP3.27
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-(4-ethylphenyl)propanamide
CID 7171358
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-[2-(trifluoromethyl)phenyl]propanamide
CID 51234509
N-(4-acetamidophenyl)-2-[1-(2-phenylethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 16526343
(2S)-N-cyclopropyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246577
(2R)-N-(2,3-dichlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 7246434
4-[2-(4-oxo-3-propan-2-ylquinazolin-2-yl)sulfanylpropanoylamino]benzamide
CID 42985932
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
4-[2-[4,5-dimethyl-1-(2-methylpropyl)imidazol-2-yl]sulfanylpropanoylamino]benzamide
CID 46811640
2-(3-ethyl-4-oxoquinazolin-2-yl)sulfanyl-N-pyridin-4-ylpropanamide
CID 23858762
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(4-ethylphenyl)propanamide
CID 46574997
(2S)-1-(4-chlorophenyl)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropan-1-one
CID 7171396

Frequently Asked Questions

What is the IUPAC name of 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide?
The IUPAC name of 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide (CID 7171444) is 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide.
What is the SMILES notation for 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide?
The canonical SMILES for 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide is CCn1c(S[C@H](C)C(=O)Nc2ccc(C(N)=O)cc2)nc2ccccc21.
What is the InChIKey of 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide?
The InChIKey is SYEQBKDJHIBFDZ-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H20N4O2S/c1-3-23-16-7-5-4-6-15(16)22-19(23)26-12(2)18(25)21-14-10-8-13(9-11-14)17(20)24/h4-12H,3H2,1-2H3,(H2,20,24)(H,21,25)/t12-/m1/s1.
What are the key properties of 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide?
4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide has a molecular weight of 368.46 g/mol, XLogP of 3.27, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(2R)-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanoyl]amino]benzamide is sourced from PubChem (CID 7171444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).