N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide

C15H19N3O2S — CID 23973496

IUPACN-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2nccn2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11-21-15-16-9-10-18(15)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,17,19)
InChIKeyUAVVGISWDHBHCN-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.94
Rot. Bonds7

About N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide

N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide (PubChem CID 23973496) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
PubChem CID23973496
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)CCSc2nccn2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11-21-15-16-9-10-18(15)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,17,19)
InChIKeyUAVVGISWDHBHCN-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.40
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-cyclopropylimidazol-2-yl)sulfanyl-N-(4-ethoxyphenyl)acetamide
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ethyl 3-(1-methylimidazol-2-yl)sulfanylpropanoate
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N-[4-(1-methylimidazol-2-yl)sulfanylphenyl]butanamide
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N-[4-[(2R)-butan-2-yl]phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide
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N-(4-ethoxyphenyl)-3-(4-oxo-3-phenylquinazolin-2-yl)sulfanylpropanamide
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N,N'-bis(4-ethoxyphenyl)nonanediamide
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N-(4-ethoxyphenyl)-3-(1-methylpyrrol-2-yl)propanamide
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N-(4-ethoxyphenyl)-3-[(5-phenyl-4-prop-2-enyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
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N-[4-(diethylamino)phenyl]-2-(1-methylimidazol-2-yl)sulfanylacetamide;sulfuric acid
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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide (CID 23973496) is N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide is CCOc1ccc(NC(=O)CCSc2nccn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is UAVVGISWDHBHCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-3-20-13-6-4-12(5-7-13)17-14(19)8-11-21-15-16-9-10-18(15)2/h4-7,9-10H,3,8,11H2,1-2H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide?
N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 2.94, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-3-(1-methylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 23973496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).