phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate

C23H22N2O4S — CID 16831221

IUPACphenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Oc4ccccc4)ccc32)cc1
InChIInChI=1S/C23H22N2O4S/c1-17-9-12-21(13-10-17)30(27,28)25-15-5-6-18-16-19(11-14-22(18)25)24-23(26)29-20-7-3-2-4-8-20/h2-4,7-14,16H,5-6,15H2,1H3,(H,24,26)
InChIKeyUINXBXZWRANALG-UHFFFAOYSA-N
MW422.51 g/mol
LogP4.75
Rot. Bonds4

About phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate

phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate (PubChem CID 16831221) has the molecular formula C23H22N2O4S and a molecular weight of 422.51 g/mol. Its IUPAC name is phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate.

Molecular Properties

Compound Namephenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
PubChem CID16831221
Molecular FormulaC23H22N2O4S
Molecular Weight422.51 g/mol
Exact Mass422.13
IUPAC Namephenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate
SMILESCc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Oc4ccccc4)ccc32)cc1
InChIInChI=1S/C23H22N2O4S/c1-17-9-12-21(13-10-17)30(27,28)25-15-5-6-18-16-19(11-14-22(18)25)24-23(26)29-20-7-3-2-4-8-20/h2-4,7-14,16H,5-6,15H2,1H3,(H,24,26)
InChIKeyUINXBXZWRANALG-UHFFFAOYSA-N
XLogP4.75
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.51
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The IUPAC name of phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate (CID 16831221) is phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate.
What is the SMILES notation for phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The canonical SMILES for phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate is Cc1ccc(S(=O)(=O)N2CCCc3cc(NC(=O)Oc4ccccc4)ccc32)cc1.
What is the InChIKey of phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
The InChIKey is UINXBXZWRANALG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N2O4S/c1-17-9-12-21(13-10-17)30(27,28)25-15-5-6-18-16-19(11-14-22(18)25)24-23(26)29-20-7-3-2-4-8-20/h2-4,7-14,16H,5-6,15H2,1H3,(H,24,26).
What are the key properties of phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate?
phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate has a molecular weight of 422.51 g/mol, XLogP of 4.75, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for phenyl N-[1-(4-methylphenyl)sulfonyl-3,4-dihydro-2H-quinolin-6-yl]carbamate is sourced from PubChem (CID 16831221), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).