1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

C15H22N2O3S — CID 134001825

IUPAC1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-10(12-4-5-12)16-15(18)17-11(2)13-6-8-14(9-7-13)21(3,19)20/h6-12H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyNNKCPVXUVDURNO-UHFFFAOYSA-N
MW310.42 g/mol
LogP2.25
Rot. Bonds5

About 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea

1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (PubChem CID 134001825) has the molecular formula C15H22N2O3S and a molecular weight of 310.42 g/mol. Its IUPAC name is 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.

Molecular Properties

Compound Name1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
PubChem CID134001825
Molecular FormulaC15H22N2O3S
Molecular Weight310.42 g/mol
Exact Mass310.14
IUPAC Name1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
SMILESCC(NC(=O)NC(C)C1CC1)c1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C15H22N2O3S/c1-10(12-4-5-12)16-15(18)17-11(2)13-6-8-14(9-7-13)21(3,19)20/h6-12H,4-5H2,1-3H3,(H2,16,17,18)
InChIKeyNNKCPVXUVDURNO-UHFFFAOYSA-N
XLogP2.25
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.42
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]cyclopropanecarboxamide
CID 36687848
trans-(1R,2R)-2-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-1-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]cyclopropane-1,2-dicarboxamide
CID 124782893
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide
CID 60711733
(2R)-2-amino-N-[1-(4-methylsulfonylphenyl)ethyl]propanamide;hydrochloride
CID 119274664
1-(3,4-dihydro-2H-chromen-4-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 71941344
N-[(1S)-1-cyclopropylethyl]-2-methyl-5-methylsulfonylbenzamide
CID 27884542
(2S)-N-[1-(4-methylsulfonylphenyl)ethyl]pyrrolidine-2-carboxamide;hydrochloride
CID 119274665
4-(cyclopropylcarbamoylamino)-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 55665995

Frequently Asked Questions

What is the IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The IUPAC name of 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea (CID 134001825) is 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea.
What is the SMILES notation for 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The canonical SMILES for 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is CC(NC(=O)NC(C)C1CC1)c1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
The InChIKey is NNKCPVXUVDURNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22N2O3S/c1-10(12-4-5-12)16-15(18)17-11(2)13-6-8-14(9-7-13)21(3,19)20/h6-12H,4-5H2,1-3H3,(H2,16,17,18).
What are the key properties of 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea?
1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea has a molecular weight of 310.42 g/mol, XLogP of 2.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-cyclopropylethyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea is sourced from PubChem (CID 134001825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).