(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide

C15H19N3OS — CID 40654359

IUPAC(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
SMILESC=CCn1c(S[C@H](C)C(=O)NCC)nc2ccccc21
InChIInChI=1S/C15H19N3OS/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)20-11(3)14(19)16-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,19)/t11-/m1/s1
InChIKeyRXJULHMUWREUNJ-LLVKDONJSA-N
MW289.40 g/mol
LogP2.84
Rot. Bonds6

About (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide

(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide (PubChem CID 40654359) has the molecular formula C15H19N3OS and a molecular weight of 289.40 g/mol. Its IUPAC name is (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
PubChem CID40654359
Molecular FormulaC15H19N3OS
Molecular Weight289.40 g/mol
Exact Mass289.12
IUPAC Name(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
SMILESC=CCn1c(S[C@H](C)C(=O)NCC)nc2ccccc21
InChIInChI=1S/C15H19N3OS/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)20-11(3)14(19)16-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,19)/t11-/m1/s1
InChIKeyRXJULHMUWREUNJ-LLVKDONJSA-N
XLogP2.84
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.40
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

N-(ethylcarbamoyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 4804927
2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-prop-2-ynylpropanamide
CID 134037680
N-[2-(4-methoxyphenyl)ethyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 55424171
(2S)-N-(3-acetylphenyl)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 7251062
N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylacetamide
CID 16518005
(2S)-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanyl-N-(4-sulfamoylphenyl)propanamide
CID 7751960
(2S)-N-[4-(propan-2-ylsulfamoyl)phenyl]-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide
CID 42089259
(2S)-N-benzyl-2-(1-ethylbenzimidazol-2-yl)sulfanylpropanamide
CID 40633499
2-(4-oxo-3-prop-2-enylquinazolin-2-yl)sulfanyl-N-(2-phenylethyl)propanamide
CID 51234712
2-(1-ethylbenzimidazol-2-yl)sulfanyl-N-propan-2-ylpropanamide
CID 46810604
(2S)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040982
(2R)-N-ethyl-2-(3H-[1,2,4]triazolo[4,3-a]benzimidazol-1-ylsulfanyl)propanamide
CID 41040981

Frequently Asked Questions

What is the IUPAC name of (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide (CID 40654359) is (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide is C=CCn1c(S[C@H](C)C(=O)NCC)nc2ccccc21.
What is the InChIKey of (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide?
The InChIKey is RXJULHMUWREUNJ-LLVKDONJSA-N. The full InChI is InChI=1S/C15H19N3OS/c1-4-10-18-13-9-7-6-8-12(13)17-15(18)20-11(3)14(19)16-5-2/h4,6-9,11H,1,5,10H2,2-3H3,(H,16,19)/t11-/m1/s1.
What are the key properties of (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide?
(2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide has a molecular weight of 289.40 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-ethyl-2-(1-prop-2-enylbenzimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 40654359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).