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

C26H28Cl2N2O5S — CID 146604841

IUPAC(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)CS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C26H28Cl2N2O5S/c1-29(26(32)35-15-17-11-21(27)14-22(28)12-17)24-6-5-19-3-4-20(13-23(19)24)18-7-9-30(10-8-18)25(31)16-36(2,33)34/h3-4,7,11-14,24H,5-6,8-10,15-16H2,1-2H3
InChIKeyZCCCWOLSMFMKLC-UHFFFAOYSA-N
MW551.49 g/mol
LogP4.91
Rot. Bonds6

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

(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 146604841) has the molecular formula C26H28Cl2N2O5S and a molecular weight of 551.49 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-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-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID146604841
Molecular FormulaC26H28Cl2N2O5S
Molecular Weight551.49 g/mol
Exact Mass550.11
IUPAC Name(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)CS(C)(=O)=O)CC3)cc21
InChIInChI=1S/C26H28Cl2N2O5S/c1-29(26(32)35-15-17-11-21(27)14-22(28)12-17)24-6-5-19-3-4-20(13-23(19)24)18-7-9-30(10-8-18)25(31)16-36(2,33)34/h3-4,7,11-14,24H,5-6,8-10,15-16H2,1-2H3
InChIKeyZCCCWOLSMFMKLC-UHFFFAOYSA-N
XLogP4.91
TPSA83.99 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500551.49
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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

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Frequently Asked Questions

What is the IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-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-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate (CID 146604841) is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-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-(2-methylsulfonylacetyl)-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-(2-methylsulfonylacetyl)-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)CS(C)(=O)=O)CC3)cc21.
What is the InChIKey of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is ZCCCWOLSMFMKLC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28Cl2N2O5S/c1-29(26(32)35-15-17-11-21(27)14-22(28)12-17)24-6-5-19-3-4-20(13-23(19)24)18-7-9-30(10-8-18)25(31)16-36(2,33)34/h3-4,7,11-14,24H,5-6,8-10,15-16H2,1-2H3.
What are the key properties of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate?
(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 551.49 g/mol, XLogP of 4.91, 6 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-(2-methylsulfonylacetyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 146604841), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).