(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

C15H19N3O2S — CID 41037543

IUPAC(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCCOc1ccc2nc(S[C@H](C)C(=O)NC3CC3)[nH]c2c1
InChIInChI=1S/C15H19N3O2S/c1-3-20-11-6-7-12-13(8-11)18-15(17-12)21-9(2)14(19)16-10-4-5-10/h6-10H,3-5H2,1-2H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyXPHIJXCDRMCQRN-SECBINFHSA-N
MW305.40 g/mol
LogP2.72
Rot. Bonds6

About (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide

(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide (PubChem CID 41037543) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
PubChem CID41037543
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC Name(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
SMILESCCOc1ccc2nc(S[C@H](C)C(=O)NC3CC3)[nH]c2c1
InChIInChI=1S/C15H19N3O2S/c1-3-20-11-6-7-12-13(8-11)18-15(17-12)21-9(2)14(19)16-10-4-5-10/h6-10H,3-5H2,1-2H3,(H,16,19)(H,17,18)/t9-/m1/s1
InChIKeyXPHIJXCDRMCQRN-SECBINFHSA-N
XLogP2.72
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
CID 41037870
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(methylcarbamoyl)propanamide
CID 4816538
3-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]butan-2-one
CID 43218622
N-[2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propyl]cyclopropanamine
CID 62577897
N-(cyclopentylcarbamoyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 17449953
(2R)-N-cyclopentyl-2-[(6-methyl-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 2085547
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-[(4-methylphenyl)methyl]propanamide
CID 46629807
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(3-methyl-1,2-oxazol-5-yl)propanamide
CID 51321763
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2-propan-2-ylpyrazol-3-yl)propanamide
CID 40553706
2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(2,3,4-trifluorophenyl)propanamide
CID 4817469
(2R)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-N-(4-sulfamoylphenyl)propanamide
CID 2641326
N-(1,3-benzodioxol-5-ylmethyl)-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide
CID 3984485

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide (CID 41037543) is (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide is CCOc1ccc2nc(S[C@H](C)C(=O)NC3CC3)[nH]c2c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
The InChIKey is XPHIJXCDRMCQRN-SECBINFHSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-11-6-7-12-13(8-11)18-15(17-12)21-9(2)14(19)16-10-4-5-10/h6-10H,3-5H2,1-2H3,(H,16,19)(H,17,18)/t9-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide?
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide has a molecular weight of 305.40 g/mol, XLogP of 2.72, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]propanamide is sourced from PubChem (CID 41037543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).