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

C15H19N3O2S — CID 2996580

IUPACN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)Sc2nccn2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-4-20-13-7-5-12(6-8-13)17-14(19)11(2)21-15-16-9-10-18(15)3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyUWOWAJUQYXVHCE-UHFFFAOYSA-N
MW305.40 g/mol
LogP2.94
Rot. Bonds6

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

N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (PubChem CID 2996580) has the molecular formula C15H19N3O2S and a molecular weight of 305.40 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
PubChem CID2996580
Molecular FormulaC15H19N3O2S
Molecular Weight305.40 g/mol
Exact Mass305.12
IUPAC NameN-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide
SMILESCCOc1ccc(NC(=O)C(C)Sc2nccn2C)cc1
InChIInChI=1S/C15H19N3O2S/c1-4-20-13-7-5-12(6-8-13)17-14(19)11(2)21-15-16-9-10-18(15)3/h5-11H,4H2,1-3H3,(H,17,19)
InChIKeyUWOWAJUQYXVHCE-UHFFFAOYSA-N
XLogP2.94
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
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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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The IUPAC name of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide (CID 2996580) is N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide.
What is the SMILES notation for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The canonical SMILES for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is CCOc1ccc(NC(=O)C(C)Sc2nccn2C)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
The InChIKey is UWOWAJUQYXVHCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O2S/c1-4-20-13-7-5-12(6-8-13)17-14(19)11(2)21-15-16-9-10-18(15)3/h5-11H,4H2,1-3H3,(H,17,19).
What are the key properties of N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide?
N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide has a molecular weight of 305.40 g/mol, XLogP of 2.94, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-2-(1-methylimidazol-2-yl)sulfanylpropanamide is sourced from PubChem (CID 2996580), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).