N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide

C18H17N3O3S2 — CID 33362219

IUPACN-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-26(23,24)20-15-9-7-14(8-10-15)17(22)13-25-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12,20H,13H2,1H3
InChIKeyAEYBRQURBYWGDR-UHFFFAOYSA-N
MW387.49 g/mol
LogP3.22
Rot. Bonds7

About N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide

N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide (PubChem CID 33362219) has the molecular formula C18H17N3O3S2 and a molecular weight of 387.49 g/mol. Its IUPAC name is N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
PubChem CID33362219
Molecular FormulaC18H17N3O3S2
Molecular Weight387.49 g/mol
Exact Mass387.07
IUPAC NameN-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1
InChIInChI=1S/C18H17N3O3S2/c1-26(23,24)20-15-9-7-14(8-10-15)17(22)13-25-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12,20H,13H2,1H3
InChIKeyAEYBRQURBYWGDR-UHFFFAOYSA-N
XLogP3.22
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.49
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-phenylethanone
CID 33298165
[4-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]urea
CID 33298924
N-[4-[2-(1-methylimidazol-2-yl)sulfanylacetyl]phenyl]benzamide
CID 40511037
2-[1-(3-chlorophenyl)imidazol-2-yl]sulfanyl-1-(4-methoxyphenyl)ethanone
CID 33299887
N-[4-[2-[(4-phenyl-1,3-thiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 33293884
N-[4-[2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylacetyl]phenyl]propanamide
CID 33299222
1-(4-methylphenyl)-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylethanone
CID 33299321
3-[2-[2-(3,4-dimethoxyphenyl)-2-oxoethyl]sulfanylimidazol-1-yl]-N-phenylbenzamide
CID 51363244
N-[4-[2-[(5-benzyl-1,3,4-oxadiazol-2-yl)sulfanyl]acetyl]phenyl]methanesulfonamide
CID 8012960
methyl 4-(1-phenylimidazol-2-yl)sulfanylbutanoate
CID 3849132
N-[4-[2-[3-(3-fluoro-4-methylphenyl)-4-oxoquinazolin-2-yl]sulfanylacetyl]phenyl]methanesulfonamide
CID 24558782
4-(1-phenylimidazol-2-yl)sulfanylbutanoic acid
CID 5233179

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide (CID 33362219) is N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide is CS(=O)(=O)Nc1ccc(C(=O)CSc2nccn2-c2ccccc2)cc1.
What is the InChIKey of N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide?
The InChIKey is AEYBRQURBYWGDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S2/c1-26(23,24)20-15-9-7-14(8-10-15)17(22)13-25-18-19-11-12-21(18)16-5-3-2-4-6-16/h2-12,20H,13H2,1H3.
What are the key properties of N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide?
N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide has a molecular weight of 387.49 g/mol, XLogP of 3.22, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-(1-phenylimidazol-2-yl)sulfanylacetyl]phenyl]methanesulfonamide is sourced from PubChem (CID 33362219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).