N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide

C24H30N2O4S — CID 2109848

IUPACN-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H30N2O4S/c1-30-22-15-14-19(24(27)25-20-11-4-2-3-5-12-20)17-23(22)31(28,29)26-16-8-10-18-9-6-7-13-21(18)26/h6-7,9,13-15,17,20H,2-5,8,10-12,16H2,1H3,(H,25,27)
InChIKeyHHSDYQIRWPZRDU-UHFFFAOYSA-N
MW442.58 g/mol
LogP4.29
Rot. Bonds5

About N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide

N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide (PubChem CID 2109848) has the molecular formula C24H30N2O4S and a molecular weight of 442.58 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
PubChem CID2109848
Molecular FormulaC24H30N2O4S
Molecular Weight442.58 g/mol
Exact Mass442.19
IUPAC NameN-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide
SMILESCOc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21
InChIInChI=1S/C24H30N2O4S/c1-30-22-15-14-19(24(27)25-20-11-4-2-3-5-12-20)17-23(22)31(28,29)26-16-8-10-18-9-6-7-13-21(18)26/h6-7,9,13-15,17,20H,2-5,8,10-12,16H2,1H3,(H,25,27)
InChIKeyHHSDYQIRWPZRDU-UHFFFAOYSA-N
XLogP4.29
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide?
The IUPAC name of N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide (CID 2109848) is N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide.
What is the SMILES notation for N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide?
The canonical SMILES for N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide is COc1ccc(C(=O)NC2CCCCCC2)cc1S(=O)(=O)N1CCCc2ccccc21.
What is the InChIKey of N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide?
The InChIKey is HHSDYQIRWPZRDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O4S/c1-30-22-15-14-19(24(27)25-20-11-4-2-3-5-12-20)17-23(22)31(28,29)26-16-8-10-18-9-6-7-13-21(18)26/h6-7,9,13-15,17,20H,2-5,8,10-12,16H2,1H3,(H,25,27).
What are the key properties of N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide?
N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide has a molecular weight of 442.58 g/mol, XLogP of 4.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,4-dihydro-2H-quinolin-1-ylsulfonyl)-4-methoxybenzamide is sourced from PubChem (CID 2109848), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).