N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide

C17H20N2O4S — CID 113094889

IUPACN-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18(2)14-5-7-15(8-6-14)19(3)24(21,22)17-11-9-16(23-4)10-12-17/h5-12H,1-4H3
InChIKeyRUZBSXQZUKFCGX-UHFFFAOYSA-N
MW348.42 g/mol
LogP2.50
Rot. Bonds5

About N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide

N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide (PubChem CID 113094889) has the molecular formula C17H20N2O4S and a molecular weight of 348.42 g/mol. Its IUPAC name is N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
PubChem CID113094889
Molecular FormulaC17H20N2O4S
Molecular Weight348.42 g/mol
Exact Mass348.11
IUPAC NameN-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc1
InChIInChI=1S/C17H20N2O4S/c1-13(20)18(2)14-5-7-15(8-6-14)19(3)24(21,22)17-11-9-16(23-4)10-12-17/h5-12H,1-4H3
InChIKeyRUZBSXQZUKFCGX-UHFFFAOYSA-N
XLogP2.50
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.42
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 967709
N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094905
N-tert-butyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 53280023
N-(4-ethylphenyl)-4-(4-methoxyphenoxy)-N-methylbenzenesulfonamide
CID 166311152
N-(3,5-dimethylphenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94622750
N-(3,4-difluorophenyl)-4-methoxy-N-methylbenzenesulfonamide
CID 94661208
[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl] 3,4-dimethoxybenzoate
CID 71904208
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 92685580
N,N-dibenzyl-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 126373552
2-chloro-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzoic acid
CID 100552922
3-hydroxy-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 81258864
N-(2,6-dimethylphenyl)-4-[(4-methoxyphenyl)sulfonyl-methylamino]benzamide
CID 1260716

Frequently Asked Questions

What is the IUPAC name of N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide (CID 113094889) is N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide is COc1ccc(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)cc1.
What is the InChIKey of N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The InChIKey is RUZBSXQZUKFCGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N2O4S/c1-13(20)18(2)14-5-7-15(8-6-14)19(3)24(21,22)17-11-9-16(23-4)10-12-17/h5-12H,1-4H3.
What are the key properties of N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide has a molecular weight of 348.42 g/mol, XLogP of 2.50, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 113094889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).