N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide

C22H24N4O3S — CID 18290359

IUPACN-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1ncc(-c2ccccc2)n1-c1cccc(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-4-23-21(28)25-20(27)15(2)30-22-24-14-19(16-9-6-5-7-10-16)26(22)17-11-8-12-18(13-17)29-3/h5-15H,4H2,1-3H3,(H2,23,25,27,28)
InChIKeyMNUCQCMEFGXFHW-UHFFFAOYSA-N
MW424.53 g/mol
LogP3.87
Rot. Bonds7

About N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide

N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide (PubChem CID 18290359) has the molecular formula C22H24N4O3S and a molecular weight of 424.53 g/mol. Its IUPAC name is N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide.

Molecular Properties

Compound NameN-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
PubChem CID18290359
Molecular FormulaC22H24N4O3S
Molecular Weight424.53 g/mol
Exact Mass424.16
IUPAC NameN-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide
SMILESCCNC(=O)NC(=O)C(C)Sc1ncc(-c2ccccc2)n1-c1cccc(OC)c1
InChIInChI=1S/C22H24N4O3S/c1-4-23-21(28)25-20(27)15(2)30-22-24-14-19(16-9-6-5-7-10-16)26(22)17-11-8-12-18(13-17)29-3/h5-15H,4H2,1-3H3,(H2,23,25,27,28)
InChIKeyMNUCQCMEFGXFHW-UHFFFAOYSA-N
XLogP3.87
TPSA85.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.53
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(ethylcarbamoyl)-2-[6-ethyl-3-(3-methoxyphenyl)-5-methyl-4-oxothieno[2,3-d]pyrimidin-2-yl]sulfanylpropanamide
CID 3942794
N-(ethylcarbamoyl)-2-[(4-ethyl-5-phenyl-1,2,4-triazol-3-yl)sulfanyl]propanamide
CID 3271619
N-(ethylcarbamoyl)-2-(1-phenylbenzimidazol-2-yl)sulfanylpropanamide
CID 4814960
N-[(2-methoxyphenyl)methyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 51236617
N-carbamoyl-2-[[4-(4-ethoxyphenyl)-5-(3-methoxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 42974431
(2S)-N-(ethylcarbamoyl)-2-(2-methoxyphenyl)sulfanylpropanamide
CID 94214626
N-[(2,4-dimethylphenyl)carbamoyl]-2-(1-methyl-5-phenylimidazol-2-yl)sulfanylpropanamide
CID 24651805
(2R)-N-(ethylcarbamoyl)-2-[[4-(2-fluorophenyl)-5-[(4-methoxyphenoxy)methyl]-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 41152680
(2R)-N-(ethylcarbamoyl)-2-[3-[2-(4-methoxyphenyl)ethyl]-4-oxoquinazolin-2-yl]sulfanylpropanamide
CID 2571317
2-[(5,6-diphenyl-1,2,4-triazin-3-yl)sulfanyl]-N-(ethylcarbamoyl)propanamide
CID 6412408
N-(ethylcarbamoyl)-2-(4-oxo-6-phenyl-3-prop-2-enylthieno[2,3-d]pyrimidin-2-yl)sulfanylpropanamide
CID 42970606
methyl (2S)-2-[[2-(1,5-diphenylimidazol-2-yl)sulfanylacetyl]amino]-4-methylpentanoate
CID 40964364

Frequently Asked Questions

What is the IUPAC name of N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide?
The IUPAC name of N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide (CID 18290359) is N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide.
What is the SMILES notation for N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide?
The canonical SMILES for N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide is CCNC(=O)NC(=O)C(C)Sc1ncc(-c2ccccc2)n1-c1cccc(OC)c1.
What is the InChIKey of N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide?
The InChIKey is MNUCQCMEFGXFHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3S/c1-4-23-21(28)25-20(27)15(2)30-22-24-14-19(16-9-6-5-7-10-16)26(22)17-11-8-12-18(13-17)29-3/h5-15H,4H2,1-3H3,(H2,23,25,27,28).
What are the key properties of N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide?
N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide has a molecular weight of 424.53 g/mol, XLogP of 3.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(ethylcarbamoyl)-2-[1-(3-methoxyphenyl)-5-phenylimidazol-2-yl]sulfanylpropanamide is sourced from PubChem (CID 18290359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).