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

C20H21N3O2S — CID 41037870

IUPAC(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCOc1ccc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2S/c1-2-25-15-10-11-16-17(12-15)23-20(22-16)26-18(13-6-4-3-5-7-13)19(24)21-14-8-9-14/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyOSUARIXLONWFQR-GOSISDBHSA-N
MW367.47 g/mol
LogP4.07
Rot. Bonds7

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

(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide (PubChem CID 41037870) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide.

Molecular Properties

Compound Name(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
PubChem CID41037870
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide
SMILESCCOc1ccc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)[nH]c2c1
InChIInChI=1S/C20H21N3O2S/c1-2-25-15-10-11-16-17(12-15)23-20(22-16)26-18(13-6-4-3-5-7-13)19(24)21-14-8-9-14/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1
InChIKeyOSUARIXLONWFQR-GOSISDBHSA-N
XLogP4.07
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 54.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The IUPAC name of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide (CID 41037870) is (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide.
What is the SMILES notation for (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The canonical SMILES for (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide is CCOc1ccc2nc(S[C@@H](C(=O)NC3CC3)c3ccccc3)[nH]c2c1.
What is the InChIKey of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
The InChIKey is OSUARIXLONWFQR-GOSISDBHSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-2-25-15-10-11-16-17(12-15)23-20(22-16)26-18(13-6-4-3-5-7-13)19(24)21-14-8-9-14/h3-7,10-12,14,18H,2,8-9H2,1H3,(H,21,24)(H,22,23)/t18-/m1/s1.
What are the key properties of (2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide?
(2R)-N-cyclopropyl-2-[(6-ethoxy-1H-benzimidazol-2-yl)sulfanyl]-2-phenylacetamide has a molecular weight of 367.47 g/mol, XLogP of 4.07, 7 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]-2-phenylacetamide is sourced from PubChem (CID 41037870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).