1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

C18H23N3O3S — CID 72845288

IUPAC1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)n1
InChIInChI=1S/C18H23N3O3S/c1-11-10-12(2)19-14(4)17(11)21-18(22)20-13(3)15-6-8-16(9-7-15)25(5,23)24/h6-10,13H,1-5H3,(H2,20,21,22)
InChIKeyZICZLKXGCFBFKD-UHFFFAOYSA-N
MW361.47 g/mol
LogP3.29
Rot. Bonds4

About 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea

1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (PubChem CID 72845288) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.

Molecular Properties

Compound Name1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
PubChem CID72845288
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC Name1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
SMILESCc1cc(C)c(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)n1
InChIInChI=1S/C18H23N3O3S/c1-11-10-12(2)19-14(4)17(11)21-18(22)20-13(3)15-6-8-16(9-7-15)25(5,23)24/h6-10,13H,1-5H3,(H2,20,21,22)
InChIKeyZICZLKXGCFBFKD-UHFFFAOYSA-N
XLogP3.29
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea
CID 97269532
1-(4-methylphenyl)-3-[(1S)-1-(4-methylsulfonylphenyl)ethyl]urea
CID 27734788
1-(3-bromo-4-methylphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78874719
4,6-dimethyl-N-[(1R)-1-(4-methylsulfonylphenyl)ethyl]pyrimidin-2-amine
CID 94006047
1-ethyl-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 4126910
1-[1-(3,4-dimethylphenyl)ethyl]-3-(4-methylsulfonyl-2-pyridinyl)urea
CID 136559239
1,3,6-trimethyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pyrazolo[3,4-b]pyridine-4-carboxamide
CID 51646933
1-(2-cyano-4-fluorophenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 78839341
1-(3,5-difluoro-4-methoxyphenyl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 87035526
1-[(1S)-1-(4-methylsulfonylphenyl)ethyl]-3-propylurea
CID 94211375
N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]propanamide
CID 92510485
1-(1,3-benzodioxol-5-yl)-3-[1-(4-methylsulfonylphenyl)ethyl]urea
CID 42930014

Frequently Asked Questions

What is the IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The IUPAC name of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea (CID 72845288) is 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea.
What is the SMILES notation for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The canonical SMILES for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is Cc1cc(C)c(NC(=O)NC(C)c2ccc(S(C)(=O)=O)cc2)c(C)n1.
What is the InChIKey of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
The InChIKey is ZICZLKXGCFBFKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-11-10-12(2)19-14(4)17(11)21-18(22)20-13(3)15-6-8-16(9-7-15)25(5,23)24/h6-10,13H,1-5H3,(H2,20,21,22).
What are the key properties of 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea?
1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea has a molecular weight of 361.47 g/mol, XLogP of 3.29, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(4-methylsulfonylphenyl)ethyl]-3-(2,4,6-trimethyl-3-pyridinyl)urea is sourced from PubChem (CID 72845288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).