1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea

C15H25N3O4S — CID 96532355

IUPAC1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
SMILESCCN(C(=O)NCc1ccc(C)nc1OC)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-6-18(12(3)10-23(5,20)21)15(19)16-9-13-8-7-11(2)17-14(13)22-4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19)/t12-/m0/s1
InChIKeyCDXQKYKXXHAWQS-LBPRGKRZSA-N
MW343.45 g/mol
LogP1.36
Rot. Bonds7

About 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea

1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea (PubChem CID 96532355) has the molecular formula C15H25N3O4S and a molecular weight of 343.45 g/mol. Its IUPAC name is 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
PubChem CID96532355
Molecular FormulaC15H25N3O4S
Molecular Weight343.45 g/mol
Exact Mass343.16
IUPAC Name1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
SMILESCCN(C(=O)NCc1ccc(C)nc1OC)[C@@H](C)CS(C)(=O)=O
InChIInChI=1S/C15H25N3O4S/c1-6-18(12(3)10-23(5,20)21)15(19)16-9-13-8-7-11(2)17-14(13)22-4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19)/t12-/m0/s1
InChIKeyCDXQKYKXXHAWQS-LBPRGKRZSA-N
XLogP1.36
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.45
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea (CID 96532355) is 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea is CCN(C(=O)NCc1ccc(C)nc1OC)[C@@H](C)CS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea?
The InChIKey is CDXQKYKXXHAWQS-LBPRGKRZSA-N. The full InChI is InChI=1S/C15H25N3O4S/c1-6-18(12(3)10-23(5,20)21)15(19)16-9-13-8-7-11(2)17-14(13)22-4/h7-8,12H,6,9-10H2,1-5H3,(H,16,19)/t12-/m0/s1.
What are the key properties of 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea?
1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea has a molecular weight of 343.45 g/mol, XLogP of 1.36, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(2-methoxy-6-methyl-3-pyridinyl)methyl]-1-[(2S)-1-methylsulfonylpropan-2-yl]urea is sourced from PubChem (CID 96532355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).