1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea

C18H24N2O3S2 — CID 167760551

IUPAC1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC(c2cccs2)C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-5-25(22,23)14-10-8-13(9-11-14)19-17(21)20-16(18(2,3)4)15-7-6-12-24-15/h6-12,16H,5H2,1-4H3,(H2,19,20,21)
InChIKeySFKTXVHWRKBYPG-UHFFFAOYSA-N
MW380.54 g/mol
LogP4.45
Rot. Bonds5

About 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea

1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea (PubChem CID 167760551) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea.

Molecular Properties

Compound Name1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
PubChem CID167760551
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea
SMILESCCS(=O)(=O)c1ccc(NC(=O)NC(c2cccs2)C(C)(C)C)cc1
InChIInChI=1S/C18H24N2O3S2/c1-5-25(22,23)14-10-8-13(9-11-14)19-17(21)20-16(18(2,3)4)15-7-6-12-24-15/h6-12,16H,5H2,1-4H3,(H2,19,20,21)
InChIKeySFKTXVHWRKBYPG-UHFFFAOYSA-N
XLogP4.45
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 54.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-(4-ethylsulfonylphenyl)-2-thiophen-2-ylacetamide
CID 115286247
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(2-methyl-1,3-dioxoisoindol-5-yl)urea
CID 167800583
1-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-[2-(4-methyl-2-oxo-1H-imidazol-3-yl)phenyl]urea
CID 56554524
1-[2-(difluoromethoxy)-6-methylphenyl]-3-(2,2-dimethyl-1-thiophen-2-ylpropyl)urea
CID 56587117
N-[3-[(4-ethylsulfonylphenyl)carbamoyl]phenyl]thiophene-2-carboxamide
CID 18140938
2-(tert-butylamino)-N-(4-ethylsulfonylphenyl)acetamide
CID 78923640
3-cyclopentylsulfonyl-N-(2,2-dimethyl-1-thiophen-2-ylpropyl)propanamide
CID 55778009
1-[1-[2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-2-oxoethyl]pyrazol-4-yl]-3-[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]urea
CID 98768508
[2-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]-2-oxoethyl] 2-methoxyacetate
CID 94352559
N-(2,3-dimethylbutyl)-4-ethylsulfonylaniline
CID 64596945

Frequently Asked Questions

What is the IUPAC name of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea?
The IUPAC name of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea (CID 167760551) is 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea.
What is the SMILES notation for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea?
The canonical SMILES for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea is CCS(=O)(=O)c1ccc(NC(=O)NC(c2cccs2)C(C)(C)C)cc1.
What is the InChIKey of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea?
The InChIKey is SFKTXVHWRKBYPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-5-25(22,23)14-10-8-13(9-11-14)19-17(21)20-16(18(2,3)4)15-7-6-12-24-15/h6-12,16H,5H2,1-4H3,(H2,19,20,21).
What are the key properties of 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea?
1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea has a molecular weight of 380.54 g/mol, XLogP of 4.45, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethyl-1-thiophen-2-ylpropyl)-3-(4-ethylsulfonylphenyl)urea is sourced from PubChem (CID 167760551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).