N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

C24H27ClN2O3S — CID 11826642

IUPACN-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CN(CCc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H27ClN2O3S/c1-30-24-13-7-21(8-14-24)18-27(17-20-3-9-22(25)10-4-20)16-15-19-5-11-23(12-6-19)26-31(2,28)29/h3-14,26H,15-18H2,1-2H3
InChIKeyMBOKRWCXZWTTDZ-UHFFFAOYSA-N
MW459.01 g/mol
LogP4.97
Rot. Bonds10

About N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide

N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (PubChem CID 11826642) has the molecular formula C24H27ClN2O3S and a molecular weight of 459.01 g/mol. Its IUPAC name is N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.

Molecular Properties

Compound NameN-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
PubChem CID11826642
Molecular FormulaC24H27ClN2O3S
Molecular Weight459.01 g/mol
Exact Mass458.14
IUPAC NameN-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide
SMILESCOc1ccc(CN(CCc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1
InChIInChI=1S/C24H27ClN2O3S/c1-30-24-13-7-21(8-14-24)18-27(17-20-3-9-22(25)10-4-20)16-15-19-5-11-23(12-6-19)26-31(2,28)29/h3-14,26H,15-18H2,1-2H3
InChIKeyMBOKRWCXZWTTDZ-UHFFFAOYSA-N
XLogP4.97
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.01
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The IUPAC name of N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide (CID 11826642) is N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide.
What is the SMILES notation for N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The canonical SMILES for N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is COc1ccc(CN(CCc2ccc(NS(C)(=O)=O)cc2)Cc2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
The InChIKey is MBOKRWCXZWTTDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27ClN2O3S/c1-30-24-13-7-21(8-14-24)18-27(17-20-3-9-22(25)10-4-20)16-15-19-5-11-23(12-6-19)26-31(2,28)29/h3-14,26H,15-18H2,1-2H3.
What are the key properties of N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide?
N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide has a molecular weight of 459.01 g/mol, XLogP of 4.97, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[(4-chlorophenyl)methyl-[(4-methoxyphenyl)methyl]amino]ethyl]phenyl]methanesulfonamide is sourced from PubChem (CID 11826642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).