(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

C51H54Cl4N6O8S — CID 159877326

IUPAC(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)N4CCN(S(C)(=O)=O)C4=O)CC3)cc21.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C28H30Cl2N4O6S.C23H24Cl2N2O2/c1-31(28(37)40-17-18-13-22(29)16-23(30)14-18)25-6-5-20-3-4-21(15-24(20)25)19-7-9-32(10-8-19)26(35)33-11-12-34(27(33)36)41(2,38)39;1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h3-4,7,13-16,25H,5-6,8-12,17H2,1-2H3;2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3
InChIKeyNTBOOKQYLVEUDS-UHFFFAOYSA-N
MW1052.91 g/mol
LogP10.78
Rot. Bonds9

About (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate

(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (PubChem CID 159877326) has the molecular formula C51H54Cl4N6O8S and a molecular weight of 1052.91 g/mol. Its IUPAC name is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate.

Molecular Properties

Compound Name(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
PubChem CID159877326
Molecular FormulaC51H54Cl4N6O8S
Molecular Weight1052.91 g/mol
Exact Mass1050.25
IUPAC Name(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate
SMILESCN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)N4CCN(S(C)(=O)=O)C4=O)CC3)cc21.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21
InChIInChI=1S/C28H30Cl2N4O6S.C23H24Cl2N2O2/c1-31(28(37)40-17-18-13-22(29)16-23(30)14-18)25-6-5-20-3-4-21(15-24(20)25)19-7-9-32(10-8-19)26(35)33-11-12-34(27(33)36)41(2,38)39;1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h3-4,7,13-16,25H,5-6,8-12,17H2,1-2H3;2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3
InChIKeyNTBOOKQYLVEUDS-UHFFFAOYSA-N
XLogP10.78
TPSA149.11 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms70
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001052.91
LogP ≤ 510.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-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-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The IUPAC name of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate (CID 159877326) is (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-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-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The canonical SMILES for (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCN(C(=O)N4CCN(S(C)(=O)=O)C4=O)CC3)cc21.CN(C(=O)OCc1cc(Cl)cc(Cl)c1)C1CCc2ccc(C3=CCNCC3)cc21.
What is the InChIKey of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
The InChIKey is NTBOOKQYLVEUDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30Cl2N4O6S.C23H24Cl2N2O2/c1-31(28(37)40-17-18-13-22(29)16-23(30)14-18)25-6-5-20-3-4-21(15-24(20)25)19-7-9-32(10-8-19)26(35)33-11-12-34(27(33)36)41(2,38)39;1-27(23(28)29-14-15-10-19(24)13-20(25)11-15)22-5-4-17-2-3-18(12-21(17)22)16-6-8-26-9-7-16/h3-4,7,13-16,25H,5-6,8-12,17H2,1-2H3;2-3,6,10-13,22,26H,4-5,7-9,14H2,1H3.
What are the key properties of (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate?
(3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate has a molecular weight of 1052.91 g/mol, XLogP of 10.78, 9 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-dichlorophenyl)methyl N-methyl-N-[6-[1-(3-methylsulfonyl-2-oxoimidazolidine-1-carbonyl)-3,6-dihydro-2H-pyridin-4-yl]-2,3-dihydro-1H-inden-1-yl]carbamate;(3,5-dichlorophenyl)methyl N-methyl-N-[6-(1,2,3,6-tetrahydropyridin-4-yl)-2,3-dihydro-1H-inden-1-yl]carbamate is sourced from PubChem (CID 159877326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).