1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

C17H26N2O3S — CID 97160895

IUPAC1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESC[C@@H](CCS(C)(=O)=O)NC(=O)NCC1(C)Cc2ccccc2C1
InChIInChI=1S/C17H26N2O3S/c1-13(8-9-23(3,21)22)19-16(20)18-12-17(2)10-14-6-4-5-7-15(14)11-17/h4-7,13H,8-12H2,1-3H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyWMOCCSCVSDQABA-ZDUSSCGKSA-N
MW338.47 g/mol
LogP1.91
Rot. Bonds6

About 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea

1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (PubChem CID 97160895) has the molecular formula C17H26N2O3S and a molecular weight of 338.47 g/mol. Its IUPAC name is 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.

Molecular Properties

Compound Name1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
PubChem CID97160895
Molecular FormulaC17H26N2O3S
Molecular Weight338.47 g/mol
Exact Mass338.17
IUPAC Name1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
SMILESC[C@@H](CCS(C)(=O)=O)NC(=O)NCC1(C)Cc2ccccc2C1
InChIInChI=1S/C17H26N2O3S/c1-13(8-9-23(3,21)22)19-16(20)18-12-17(2)10-14-6-4-5-7-15(14)11-17/h4-7,13H,8-12H2,1-3H3,(H2,18,19,20)/t13-/m0/s1
InChIKeyWMOCCSCVSDQABA-ZDUSSCGKSA-N
XLogP1.91
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.47
LogP ≤ 51.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea with MolForge

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Related Compounds

1-[(2S)-4-methylsulfonylbutan-2-yl]-3-(naphthalen-2-ylmethyl)urea
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1-[(2S)-4-methylsulfonylbutan-2-yl]-3-[(1R)-1-thiophen-2-ylethyl]urea
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1-[(3-fluoro-4-methylphenyl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227118
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CID 119952293
1-(4-methoxyphenyl)-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 70988210
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CID 97147839
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1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
1-(5-methylhexan-2-yl)-3-[(1-phenylcyclopropyl)methyl]urea
CID 112828675
3-chloro-N-[(2S)-4-methylsulfonylbutan-2-yl]benzamide
CID 70987923
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Frequently Asked Questions

What is the IUPAC name of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The IUPAC name of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea (CID 97160895) is 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea.
What is the SMILES notation for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The canonical SMILES for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is C[C@@H](CCS(C)(=O)=O)NC(=O)NCC1(C)Cc2ccccc2C1.
What is the InChIKey of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
The InChIKey is WMOCCSCVSDQABA-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H26N2O3S/c1-13(8-9-23(3,21)22)19-16(20)18-12-17(2)10-14-6-4-5-7-15(14)11-17/h4-7,13H,8-12H2,1-3H3,(H2,18,19,20)/t13-/m0/s1.
What are the key properties of 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea?
1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea has a molecular weight of 338.47 g/mol, XLogP of 1.91, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-methyl-1,3-dihydroinden-2-yl)methyl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea is sourced from PubChem (CID 97160895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).