1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

C13H20N2O4S — CID 70988210

IUPAC1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(8-9-20(3,17)18)14-13(16)15-11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyZWKLHWIBBBTMQO-JTQLQIEISA-N
MW300.38 g/mol
LogP1.64
Rot. Bonds6

About 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (PubChem CID 70988210) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.

Molecular Properties

Compound Name1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
PubChem CID70988210
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC Name1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESCOc1ccc(NC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O4S/c1-10(8-9-20(3,17)18)14-13(16)15-11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1
InChIKeyZWKLHWIBBBTMQO-JTQLQIEISA-N
XLogP1.64
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-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

Related Compounds

1-(4-methoxyphenyl)-3-propan-2-ylurea
CID 4616042
1-butan-2-yl-3-[4-[2-(4-methoxyanilino)ethylamino]phenyl]urea
CID 130268599
1-[4-(4-methoxyphenyl)butan-2-yl]-3-phenylurea
CID 168974100
1,3-bis(4-methoxyphenyl)urea
CID 139045428
(2S)-2-[(4-methoxyphenyl)carbamoylamino]propanoate
CID 7647483
1-(4-methoxyphenyl)-3-(3-methylbutyl)urea
CID 18884814
1-[(2S)-1-methoxypropan-2-yl]-3-(4-methylsulfonylphenyl)urea
CID 94820739
methyl (2S,3R)-2-[(4-methoxyphenyl)carbamoylamino]-3-methylpentanoate
CID 944653
(2R)-4-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 107823889
2-amino-N-[(1S)-1-(4-methoxyphenyl)ethyl]-4-methylsulfonylbutanamide
CID 81368689
2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 43469978
3-hydroxy-2-[(4-methoxyphenyl)carbamoylamino]butanoic acid
CID 16772859

Frequently Asked Questions

What is the IUPAC name of 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The IUPAC name of 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (CID 70988210) is 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.
What is the SMILES notation for 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The canonical SMILES for 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is COc1ccc(NC(=O)N[C@@H](C)CCS(C)(=O)=O)cc1.
What is the InChIKey of 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The InChIKey is ZWKLHWIBBBTMQO-JTQLQIEISA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-10(8-9-20(3,17)18)14-13(16)15-11-4-6-12(19-2)7-5-11/h4-7,10H,8-9H2,1-3H3,(H2,14,15,16)/t10-/m0/s1.
What are the key properties of 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea has a molecular weight of 300.38 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is sourced from PubChem (CID 70988210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).