1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea

C18H24N2O3S2 — CID 9168430

IUPAC1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H24N2O3S2/c1-4-9-19-18(21)20-12-17(15-6-5-10-24-15)25(22,23)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H2,19,20,21)/t17-/m1/s1
InChIKeySKHLXISBLRHBEO-QGZVFWFLSA-N
MW380.54 g/mol
LogP3.59
Rot. Bonds7

About 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea

1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea (PubChem CID 9168430) has the molecular formula C18H24N2O3S2 and a molecular weight of 380.54 g/mol. Its IUPAC name is 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea.

Molecular Properties

Compound Name1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
PubChem CID9168430
Molecular FormulaC18H24N2O3S2
Molecular Weight380.54 g/mol
Exact Mass380.12
IUPAC Name1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
SMILESCCCNC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cc(C)ccc1C
InChIInChI=1S/C18H24N2O3S2/c1-4-9-19-18(21)20-12-17(15-6-5-10-24-15)25(22,23)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H2,19,20,21)/t17-/m1/s1
InChIKeySKHLXISBLRHBEO-QGZVFWFLSA-N
XLogP3.59
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.54
LogP ≤ 53.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]pyridine-2-carboxamide
CID 9168347
1-[(2S)-2-(4-propan-2-ylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea
CID 9167607
N-propyl-N'-(2-thiophen-2-yl-2-thiophen-2-ylsulfonylethyl)oxamide
CID 22584108
N'-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]-N-propyloxamide
CID 9162312
N-[(2R)-2-(benzenesulfonyl)-2-thiophen-2-ylethyl]-2,5-dimethylbenzenesulfonamide
CID 41193427
N-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]thiophene-2-carboxamide
CID 9162197
1-[(2S)-2-(4-methoxyphenyl)-2-thiophen-2-ylsulfonylethyl]-3-propylurea
CID 9183165
N'-[(2R)-2-(4-methylphenyl)-2-thiophen-2-ylsulfonylethyl]-N-propyloxamide
CID 9181718
N-[(2S)-2-(2,5-dimethylphenyl)sulfonyl-2-(furan-2-yl)ethyl]acetamide
CID 9162152
N-(3-methylbutyl)-N'-[2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 22583997
N-[2-(4-fluoro-3-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]-4-methylbenzamide
CID 20962880
N-[(4-methylphenyl)methyl]-N'-[(2R)-2-(4-methylphenyl)sulfonyl-2-thiophen-2-ylethyl]oxamide
CID 40774914

Frequently Asked Questions

What is the IUPAC name of 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea?
The IUPAC name of 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea (CID 9168430) is 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea.
What is the SMILES notation for 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea?
The canonical SMILES for 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea is CCCNC(=O)NC[C@H](c1cccs1)S(=O)(=O)c1cc(C)ccc1C.
What is the InChIKey of 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea?
The InChIKey is SKHLXISBLRHBEO-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H24N2O3S2/c1-4-9-19-18(21)20-12-17(15-6-5-10-24-15)25(22,23)16-11-13(2)7-8-14(16)3/h5-8,10-11,17H,4,9,12H2,1-3H3,(H2,19,20,21)/t17-/m1/s1.
What are the key properties of 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea?
1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea has a molecular weight of 380.54 g/mol, XLogP of 3.59, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2R)-2-(2,5-dimethylphenyl)sulfonyl-2-thiophen-2-ylethyl]-3-propylurea is sourced from PubChem (CID 9168430), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).