N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide

C18H22N2O5S — CID 113094905

IUPACN-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-13(21)19(2)14-6-8-15(9-7-14)20(3)26(22,23)18-12-16(24-4)10-11-17(18)25-5/h6-12H,1-5H3
InChIKeyNUNCQODOWKTWLY-UHFFFAOYSA-N
MW378.45 g/mol
LogP2.51
Rot. Bonds6

About N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide

N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide (PubChem CID 113094905) has the molecular formula C18H22N2O5S and a molecular weight of 378.45 g/mol. Its IUPAC name is N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide.

Molecular Properties

Compound NameN-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
PubChem CID113094905
Molecular FormulaC18H22N2O5S
Molecular Weight378.45 g/mol
Exact Mass378.12
IUPAC NameN-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
SMILESCOc1ccc(OC)c(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)c1
InChIInChI=1S/C18H22N2O5S/c1-13(21)19(2)14-6-8-15(9-7-14)20(3)26(22,23)18-12-16(24-4)10-11-17(18)25-5/h6-12H,1-5H3
InChIKeyNUNCQODOWKTWLY-UHFFFAOYSA-N
XLogP2.51
TPSA76.15 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 52.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide
CID 113094889
5-chloro-N-(4-chlorophenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 3517707
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N,N-dimethylacetamide
CID 32945132
5-amino-N-(4-hydroxyphenyl)-2-methoxy-N-methylbenzenesulfonamide
CID 107733405
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-methylacetamide
CID 27001573
N-(2,5-dimethoxyphenyl)sulfonyl-N-(2-oxo-1,3-benzoxathiol-5-yl)acetamide
CID 5122341
2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]-N-ethylacetamide
CID 45371745
2,5-dimethoxy-N-methyl-N-(1,3-thiazol-2-yl)benzenesulfonamide
CID 110723421
ethyl (2S)-2-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]propanoate
CID 95975765
2,5-dibromo-N-(4-methoxyphenyl)-N-methylbenzenesulfonamide
CID 62004233
2-[(2,5-dimethoxyphenyl)sulfonyl-propan-2-ylamino]acetic acid
CID 60829815
3-(dimethylsulfamoyl)-4-methoxy-N-methyl-N-phenylbenzamide
CID 51161109

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The IUPAC name of N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide (CID 113094905) is N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide.
What is the SMILES notation for N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The canonical SMILES for N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide is COc1ccc(OC)c(S(=O)(=O)N(C)c2ccc(N(C)C(C)=O)cc2)c1.
What is the InChIKey of N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
The InChIKey is NUNCQODOWKTWLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O5S/c1-13(21)19(2)14-6-8-15(9-7-14)20(3)26(22,23)18-12-16(24-4)10-11-17(18)25-5/h6-12H,1-5H3.
What are the key properties of N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide?
N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide has a molecular weight of 378.45 g/mol, XLogP of 2.51, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2,5-dimethoxyphenyl)sulfonyl-methylamino]phenyl]-N-methylacetamide is sourced from PubChem (CID 113094905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).