N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide

C19H25N3O3S — CID 31038895

IUPACN-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
SMILESCCCCn1c(SCC(=O)NC(=O)c2ccc(OC)cc2)nc(C)c1C
InChIInChI=1S/C19H25N3O3S/c1-5-6-11-22-14(3)13(2)20-19(22)26-12-17(23)21-18(24)15-7-9-16(25-4)10-8-15/h7-10H,5-6,11-12H2,1-4H3,(H,21,23,24)
InChIKeyWWNVFTVQJDWTTD-UHFFFAOYSA-N
MW375.49 g/mol
LogP3.36
Rot. Bonds8

About N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide

N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide (PubChem CID 31038895) has the molecular formula C19H25N3O3S and a molecular weight of 375.49 g/mol. Its IUPAC name is N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
PubChem CID31038895
Molecular FormulaC19H25N3O3S
Molecular Weight375.49 g/mol
Exact Mass375.16
IUPAC NameN-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
SMILESCCCCn1c(SCC(=O)NC(=O)c2ccc(OC)cc2)nc(C)c1C
InChIInChI=1S/C19H25N3O3S/c1-5-6-11-22-14(3)13(2)20-19(22)26-12-17(23)21-18(24)15-7-9-16(25-4)10-8-15/h7-10H,5-6,11-12H2,1-4H3,(H,21,23,24)
InChIKeyWWNVFTVQJDWTTD-UHFFFAOYSA-N
XLogP3.36
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.49
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46540785
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-naphthalen-1-ylacetamide
CID 22831107
4-methoxy-N-pentanoylbenzamide
CID 175364766
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 31038790
N-[2-(3-butyl-4-oxoquinazolin-2-yl)sulfanylacetyl]benzamide
CID 7856771
N-(2-bromo-4-methylphenyl)-2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetamide
CID 36835611
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(2,5-dichlorophenyl)acetamide
CID 46510892
N-[2-[1-(2-cyanoethyl)benzimidazol-2-yl]sulfanylacetyl]-4-methoxybenzamide
CID 8023338
N-[(4-butyl-5-ethylsulfanyl-1,2,4-triazol-3-yl)methyl]-4-methoxybenzamide
CID 7095950

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide?
The IUPAC name of N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide (CID 31038895) is N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide.
What is the SMILES notation for N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide?
The canonical SMILES for N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide is CCCCn1c(SCC(=O)NC(=O)c2ccc(OC)cc2)nc(C)c1C.
What is the InChIKey of N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide?
The InChIKey is WWNVFTVQJDWTTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3O3S/c1-5-6-11-22-14(3)13(2)20-19(22)26-12-17(23)21-18(24)15-7-9-16(25-4)10-8-15/h7-10H,5-6,11-12H2,1-4H3,(H,21,23,24).
What are the key properties of N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide?
N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide has a molecular weight of 375.49 g/mol, XLogP of 3.36, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide is sourced from PubChem (CID 31038895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).