N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

C18H19N3O4S — CID 2302157

IUPACN-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C18H19N3O4S/c1-23-12-5-6-13-14(9-12)21-18(20-13)26-10-17(22)19-11-4-7-15(24-2)16(8-11)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPHANPVGJVOXZGY-UHFFFAOYSA-N
MW373.43 g/mol
LogP3.32
Rot. Bonds7

About N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide

N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (PubChem CID 2302157) has the molecular formula C18H19N3O4S and a molecular weight of 373.43 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
PubChem CID2302157
Molecular FormulaC18H19N3O4S
Molecular Weight373.43 g/mol
Exact Mass373.11
IUPAC NameN-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide
SMILESCOc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2c1
InChIInChI=1S/C18H19N3O4S/c1-23-12-5-6-13-14(9-12)21-18(20-13)26-10-17(22)19-11-4-7-15(24-2)16(8-11)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21)
InChIKeyPHANPVGJVOXZGY-UHFFFAOYSA-N
XLogP3.32
TPSA85.47 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.43
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide (CID 2302157) is N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is COc1ccc2nc(SCC(=O)Nc3ccc(OC)c(OC)c3)[nH]c2c1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
The InChIKey is PHANPVGJVOXZGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O4S/c1-23-12-5-6-13-14(9-12)21-18(20-13)26-10-17(22)19-11-4-7-15(24-2)16(8-11)25-3/h4-9H,10H2,1-3H3,(H,19,22)(H,20,21).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide?
N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide has a molecular weight of 373.43 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-[(6-methoxy-1H-benzimidazol-2-yl)sulfanyl]acetamide is sourced from PubChem (CID 2302157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).