2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide

C20H28N4O2S — CID 46540785

IUPAC2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)Nc2cccc(C)c2C)nc(C)c1C
InChIInChI=1S/C20H28N4O2S/c1-6-7-11-24-16(5)15(4)21-20(24)27-12-18(25)23-19(26)22-17-10-8-9-13(2)14(17)3/h8-10H,6-7,11-12H2,1-5H3,(H2,22,23,25,26)
InChIKeyHKZHDPXWAGFMSZ-UHFFFAOYSA-N
MW388.54 g/mol
LogP4.36
Rot. Bonds7

About 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide (PubChem CID 46540785) has the molecular formula C20H28N4O2S and a molecular weight of 388.54 g/mol. Its IUPAC name is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide.

Molecular Properties

Compound Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
PubChem CID46540785
Molecular FormulaC20H28N4O2S
Molecular Weight388.54 g/mol
Exact Mass388.19
IUPAC Name2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
SMILESCCCCn1c(SCC(=O)NC(=O)Nc2cccc(C)c2C)nc(C)c1C
InChIInChI=1S/C20H28N4O2S/c1-6-7-11-24-16(5)15(4)21-20(24)27-12-18(25)23-19(26)22-17-10-8-9-13(2)14(17)3/h8-10H,6-7,11-12H2,1-5H3,(H2,22,23,25,26)
InChIKeyHKZHDPXWAGFMSZ-UHFFFAOYSA-N
XLogP4.36
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.54
LogP ≤ 54.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(methylcarbamoyl)acetamide
CID 18146970
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CID 31038790
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-carbamoylacetamide
CID 25405496
N-[2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanylacetyl]-4-methoxybenzamide
CID 31038895
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-(3,4-dimethylphenyl)acetamide
CID 18278347
2-[7-chloro-3-(3-methoxypropyl)-4-oxoquinazolin-2-yl]sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 27270394
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-[(2,4-dimethylphenyl)carbamoyl]-2-[1-(2-methoxyethyl)-4,5-dimethylimidazol-2-yl]sulfanylacetamide
CID 51329556
2-[(5-benzyl-4-ethyl-1,2,4-triazol-3-yl)sulfanyl]-N-[(2,3-dimethylphenyl)carbamoyl]acetamide
CID 46641996
N-[(2,3-dimethylphenyl)carbamoyl]-2-[(2-methyl-[1,2,4]triazolo[1,5-c]quinazolin-5-yl)sulfanyl]acetamide
CID 24601199

Frequently Asked Questions

What is the IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The IUPAC name of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide (CID 46540785) is 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide.
What is the SMILES notation for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The canonical SMILES for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide is CCCCn1c(SCC(=O)NC(=O)Nc2cccc(C)c2C)nc(C)c1C.
What is the InChIKey of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
The InChIKey is HKZHDPXWAGFMSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N4O2S/c1-6-7-11-24-16(5)15(4)21-20(24)27-12-18(25)23-19(26)22-17-10-8-9-13(2)14(17)3/h8-10H,6-7,11-12H2,1-5H3,(H2,22,23,25,26).
What are the key properties of 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide?
2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide has a molecular weight of 388.54 g/mol, XLogP of 4.36, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-butyl-4,5-dimethylimidazol-2-yl)sulfanyl-N-[(2,3-dimethylphenyl)carbamoyl]acetamide is sourced from PubChem (CID 46540785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).