(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate

C27H30Cl2N2O5S — CID 161220741

About (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate

(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 161220741) has the molecular formula C27H30Cl2N2O5S and a molecular weight of 565.52 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

• Compound Name: (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
• PubChem CID: 161220741
• Molecular Formula: C27H30Cl2N2O5S
• Molecular Weight: 565.52 g/mol
• Exact Mass: 564.13
• IUPAC Name: (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
• SMILES: CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)CCS(C)(=O)=O)CC3)cc21
• InChI: InChI=1S/C27H30Cl2N2O5S/c1-30(27(33)36-17-18-13-22(28)16-23(29)14-18)25-6-5-20-3-4-21(15-24(20)25)19-7-10-31(11-8-19)26(32)9-12-37(2,34)35/h3-4,7,13-16,25H,5-6,8-12,17H2,1-2H3
• InChIKey: UXLUANYXHBDDHO-UHFFFAOYSA-N
• XLogP: 5.30
• TPSA: 83.99 Ų
• H-Bond Acceptors: 5
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	565.52
LogP ≤ 5	5.30
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?

The IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 161220741) is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate.

What is the SMILES notation for (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?

The canonical SMILES for (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate is CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)CCS(C)(=O)=O)CC3)cc21.

What is the InChIKey of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?

The InChIKey is UXLUANYXHBDDHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H30Cl2N2O5S/c1-30(27(33)36-17-18-13-22(28)16-23(29)14-18)25-6-5-20-3-4-21(15-24(20)25)19-7-10-31(11-8-19)26(32)9-12-37(2,34)35/h3-4,7,13-16,25H,5-6,8-12,17H2,1-2H3.

What are the key properties of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?

(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 565.52 g/mol, XLogP of 5.30, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonylpropanoyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 161220741), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).