1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea

C14H18Cl2N2O2S — CID 98891746

IUPAC1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C14H18Cl2N2O2S/c1-8(7-21(2)20)17-14(19)18-12-6-4-10-9(12)3-5-11(15)13(10)16/h3,5,8,12H,4,6-7H2,1-2H3,(H2,17,18,19)/t8-,12+,21+/m1/s1
InChIKeyOUVPREIZCLYHNM-QDOIRAGGSA-N
MW349.28 g/mol
LogP3.05
Rot. Bonds4

About 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea

1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea (PubChem CID 98891746) has the molecular formula C14H18Cl2N2O2S and a molecular weight of 349.28 g/mol. Its IUPAC name is 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea.

Molecular Properties

Compound Name1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
PubChem CID98891746
Molecular FormulaC14H18Cl2N2O2S
Molecular Weight349.28 g/mol
Exact Mass348.05
IUPAC Name1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
SMILESC[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl
InChIInChI=1S/C14H18Cl2N2O2S/c1-8(7-21(2)20)17-14(19)18-12-6-4-10-9(12)3-5-11(15)13(10)16/h3,5,8,12H,4,6-7H2,1-2H3,(H2,17,18,19)/t8-,12+,21+/m1/s1
InChIKeyOUVPREIZCLYHNM-QDOIRAGGSA-N
XLogP3.05
TPSA58.20 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.28
LogP ≤ 53.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-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

(2R)-2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)amino]propan-1-ol
CID 103778592
1-[(1R)-4-chloro-2,3-dihydro-1H-inden-1-yl]-3-[(2S)-4-methylsulfonylbutan-2-yl]urea
CID 97227324
4,5-dichloro-N-methyl-2,3-dihydro-1H-inden-1-amine
CID 61382890
1-(4-chloro-2,3-dihydro-1H-inden-1-yl)-3-(2-hydroxy-1-phenylethyl)urea
CID 110904136
2-[(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)carbamoylamino]-N-[(4-methoxyphenyl)methyl]acetamide
CID 86947434
1-(4,5-dichloro-2,3-dihydro-1H-inden-1-yl)-3-[2-(triazol-1-yl)ethyl]urea
CID 75453691
1-(4-amino-2,3-dihydro-1H-inden-1-yl)-3-propan-2-ylurea
CID 165476164
1-[1-(3,4-dichlorophenyl)ethyl]-3-(1-methylsulfinylpropan-2-yl)urea
CID 75520506
1-[(3R,4R)-1-benzyl-4-methylpyrrolidin-3-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 124829423
4,5-dichloro-N-propyl-2,3-dihydro-1H-inden-1-amine
CID 61383390
1-[(4-cyclopropylphenyl)methyl]-3-[(2R)-1-[(R)-methylsulfinyl]propan-2-yl]urea
CID 99829374
1-[(4-cyclopropylphenyl)methyl]-3-[(2S)-1-[(S)-methylsulfinyl]propan-2-yl]urea
CID 99829371

Frequently Asked Questions

What is the IUPAC name of 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The IUPAC name of 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea (CID 98891746) is 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea.
What is the SMILES notation for 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The canonical SMILES for 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea is C[C@H](C[S@](C)=O)NC(=O)N[C@H]1CCc2c1ccc(Cl)c2Cl.
What is the InChIKey of 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
The InChIKey is OUVPREIZCLYHNM-QDOIRAGGSA-N. The full InChI is InChI=1S/C14H18Cl2N2O2S/c1-8(7-21(2)20)17-14(19)18-12-6-4-10-9(12)3-5-11(15)13(10)16/h3,5,8,12H,4,6-7H2,1-2H3,(H2,17,18,19)/t8-,12+,21+/m1/s1.
What are the key properties of 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea?
1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea has a molecular weight of 349.28 g/mol, XLogP of 3.05, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(1S)-4,5-dichloro-2,3-dihydro-1H-inden-1-yl]-3-[(2R)-1-[(S)-methylsulfinyl]propan-2-yl]urea is sourced from PubChem (CID 98891746), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).