1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea

C17H28N2O3S — CID 96532269

IUPAC1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea
SMILESCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-19(14(4)12-23(5,21)22)17(20)18-16(13(2)3)15-10-8-7-9-11-15/h7-11,13-14,16H,6,12H2,1-5H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyLCGQSGMLTYIJLR-ZBFHGGJFSA-N
MW340.49 g/mol
LogP2.85
Rot. Bonds7

About 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea

1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea (PubChem CID 96532269) has the molecular formula C17H28N2O3S and a molecular weight of 340.49 g/mol. Its IUPAC name is 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea.

Molecular Properties

Compound Name1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea
PubChem CID96532269
Molecular FormulaC17H28N2O3S
Molecular Weight340.49 g/mol
Exact Mass340.18
IUPAC Name1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea
SMILESCCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)CS(C)(=O)=O
InChIInChI=1S/C17H28N2O3S/c1-6-19(14(4)12-23(5,21)22)17(20)18-16(13(2)3)15-10-8-7-9-11-15/h7-11,13-14,16H,6,12H2,1-5H3,(H,18,20)/t14-,16+/m1/s1
InChIKeyLCGQSGMLTYIJLR-ZBFHGGJFSA-N
XLogP2.85
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.49
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-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

Related Compounds

2-[[ethyl(propan-2-yl)carbamoyl]amino]-2-phenylacetic acid
CID 61193945
N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]-3-phenylpropanamide
CID 96531863
3-[2-(2-chlorophenyl)ethyl]-1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 95767545
3-(ethylamino)-2-methyl-N-(2-methyl-1-phenylpropyl)propanamide
CID 62851824
2-bromo-N-ethyl-N-[(2R)-1-methylsulfonylpropan-2-yl]benzamide
CID 96531857
N-[(1S)-2-methyl-1-phenylpropyl]ethanesulfonamide
CID 94197100
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide
CID 102560406
2-bromo-N-(2-methyl-1-phenylpropyl)acetamide
CID 10492239
N'-[(1R)-2-methyl-1-phenylpropyl]-N-[(1R)-1-phenylpropyl]oxamide
CID 124846210
N-ethyl-N-[3-[(2-methyl-1-phenylpropyl)amino]propyl]methanesulfonamide
CID 61014241
3-amino-N-methyl-N-(1-methylsulfonylpropan-2-yl)-3-phenylpropanamide;hydrochloride
CID 102560405
2-[(2-methyl-1-phenylpropyl)amino]butanoic acid
CID 113292394

Frequently Asked Questions

What is the IUPAC name of 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea?
The IUPAC name of 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea (CID 96532269) is 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea.
What is the SMILES notation for 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea?
The canonical SMILES for 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea is CCN(C(=O)N[C@H](c1ccccc1)C(C)C)[C@H](C)CS(C)(=O)=O.
What is the InChIKey of 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea?
The InChIKey is LCGQSGMLTYIJLR-ZBFHGGJFSA-N. The full InChI is InChI=1S/C17H28N2O3S/c1-6-19(14(4)12-23(5,21)22)17(20)18-16(13(2)3)15-10-8-7-9-11-15/h7-11,13-14,16H,6,12H2,1-5H3,(H,18,20)/t14-,16+/m1/s1.
What are the key properties of 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea?
1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea has a molecular weight of 340.49 g/mol, XLogP of 2.85, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethyl-3-[(1S)-2-methyl-1-phenylpropyl]-1-[(2R)-1-methylsulfonylpropan-2-yl]urea is sourced from PubChem (CID 96532269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).