(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide

C19H22ClNO4S — CID 8778167

IUPAC(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
SMILESCOc1cc(C)c(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO4S/c1-14-11-18(24-3)19(25-4)12-16(14)13-21(2)26(22,23)10-9-15-5-7-17(20)8-6-15/h5-12H,13H2,1-4H3/b10-9+
InChIKeyPXIPXBMPQPLERA-MDZDMXLPSA-N
MW395.91 g/mol
LogP4.10
Rot. Bonds7

About (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide

(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide (PubChem CID 8778167) has the molecular formula C19H22ClNO4S and a molecular weight of 395.91 g/mol. Its IUPAC name is (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide.

Molecular Properties

Compound Name(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
PubChem CID8778167
Molecular FormulaC19H22ClNO4S
Molecular Weight395.91 g/mol
Exact Mass395.10
IUPAC Name(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide
SMILESCOc1cc(C)c(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1OC
InChIInChI=1S/C19H22ClNO4S/c1-14-11-18(24-3)19(25-4)12-16(14)13-21(2)26(22,23)10-9-15-5-7-17(20)8-6-15/h5-12H,13H2,1-4H3/b10-9+
InChIKeyPXIPXBMPQPLERA-MDZDMXLPSA-N
XLogP4.10
TPSA55.84 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.91
LogP ≤ 54.10
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

(E)-2-(4-chlorophenyl)-N-[(2,4-dimethylphenyl)methyl]-N-methylethenesulfonamide
CID 8801139
N-[(2-methoxyphenyl)methyl]-N-methyl-2-phenylethenesulfonamide
CID 4885028
2,3-dichloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbenzenesulfonamide
CID 8778154
(E)-N-(3-aminopropyl)-2-(4-chlorophenyl)-N-methylethenesulfonamide
CID 113285734
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,2,4-trimethylbenzenesulfonamide
CID 8778152
2-(4-chlorophenyl)-N-methyl-N-(1H-1,2,4-triazol-5-ylmethyl)ethenesulfonamide
CID 77045943
4-chloro-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 2533151
3-(4-chlorophenoxy)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylpropanamide
CID 112826776
4-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylbutanamide
CID 87000731
N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N,4-dimethyl-3-nitrobenzenesulfonamide
CID 8778170
3-(4-chlorophenyl)-1-(4,5-dimethoxy-2-methylphenyl)prop-2-en-1-one
CID 4230109
2-[[(1R)-1-(4-chlorophenyl)ethyl]amino]-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylacetamide
CID 8636912

Frequently Asked Questions

What is the IUPAC name of (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide?
The IUPAC name of (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide (CID 8778167) is (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide.
What is the SMILES notation for (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide?
The canonical SMILES for (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide is COc1cc(C)c(CN(C)S(=O)(=O)/C=C/c2ccc(Cl)cc2)cc1OC.
What is the InChIKey of (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide?
The InChIKey is PXIPXBMPQPLERA-MDZDMXLPSA-N. The full InChI is InChI=1S/C19H22ClNO4S/c1-14-11-18(24-3)19(25-4)12-16(14)13-21(2)26(22,23)10-9-15-5-7-17(20)8-6-15/h5-12H,13H2,1-4H3/b10-9+.
What are the key properties of (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide?
(E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide has a molecular weight of 395.91 g/mol, XLogP of 4.10, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-2-(4-chlorophenyl)-N-[(4,5-dimethoxy-2-methylphenyl)methyl]-N-methylethenesulfonamide is sourced from PubChem (CID 8778167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).