(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

C26H25N3O4S — CID 40926731

IUPAC(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(S[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2ccccc21
InChIInChI=1S/C26H25N3O4S/c1-16(34-26-28-19-9-5-6-10-21(19)29(26)12-13-31-2)25(30)27-20-15-23-18(14-24(20)32-3)17-8-4-7-11-22(17)33-23/h4-11,14-16H,12-13H2,1-3H3,(H,27,30)/t16-/m0/s1
InChIKeyADAOUNUZJRIOEX-INIZCTEOSA-N
MW475.57 g/mol
LogP5.71
Rot. Bonds8

About (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (PubChem CID 40926731) has the molecular formula C26H25N3O4S and a molecular weight of 475.57 g/mol. Its IUPAC name is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
PubChem CID40926731
Molecular FormulaC26H25N3O4S
Molecular Weight475.57 g/mol
Exact Mass475.16
IUPAC Name(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
SMILESCOCCn1c(S[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2ccccc21
InChIInChI=1S/C26H25N3O4S/c1-16(34-26-28-19-9-5-6-10-21(19)29(26)12-13-31-2)25(30)27-20-15-23-18(14-24(20)32-3)17-8-4-7-11-22(17)33-23/h4-11,14-16H,12-13H2,1-3H3,(H,27,30)/t16-/m0/s1
InChIKeyADAOUNUZJRIOEX-INIZCTEOSA-N
XLogP5.71
TPSA78.52 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500475.57
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(2S)-N-(2-methoxydibenzofuran-3-yl)-2-(1-methyltetrazol-5-yl)sulfanylpropanamide
CID 7365406
(2R)-N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25352035
N-(2-cyanophenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 4882317
N-(5-chloro-2-methylphenyl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 46618093
(2S)-N-[2-[(2S)-butan-2-yl]pyrazol-3-yl]-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide
CID 25351950
(2S)-2-(2-fluorophenyl)sulfanyl-N-(2-methoxydibenzofuran-3-yl)propanamide
CID 7484407
2-[1-(difluoromethyl)benzimidazol-2-yl]sulfanyl-N-(2-methoxydibenzofuran-3-yl)acetamide
CID 24524487
(2R)-N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 7474363
(2S)-N-(5-chloro-2-methoxyphenyl)-2-[1-(2-methylpropyl)benzimidazol-2-yl]sulfanylpropanamide
CID 7224530
N-(2-methoxydibenzofuran-3-yl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 4010051
N-(2-methoxydibenzofuran-3-yl)-2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]propanamide
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(2R)-2-(benzotriazol-1-yloxy)-N-(2-methoxydibenzofuran-3-yl)propanamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide (CID 40926731) is (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is COCCn1c(S[C@@H](C)C(=O)Nc2cc3oc4ccccc4c3cc2OC)nc2ccccc21.
What is the InChIKey of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
The InChIKey is ADAOUNUZJRIOEX-INIZCTEOSA-N. The full InChI is InChI=1S/C26H25N3O4S/c1-16(34-26-28-19-9-5-6-10-21(19)29(26)12-13-31-2)25(30)27-20-15-23-18(14-24(20)32-3)17-8-4-7-11-22(17)33-23/h4-11,14-16H,12-13H2,1-3H3,(H,27,30)/t16-/m0/s1.
What are the key properties of (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide?
(2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide has a molecular weight of 475.57 g/mol, XLogP of 5.71, 8 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(2-methoxydibenzofuran-3-yl)-2-[1-(2-methoxyethyl)benzimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 40926731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).