N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane

C20H27NO5S — CID 143091986

IUPACN-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane
SMILESCC.COc1ccc(CC(NC=O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO5S.C2H6/c1-13-4-8-16(9-5-13)25(21,22)18(19-12-20)10-14-6-7-15(23-2)11-17(14)24-3;1-2/h4-9,11-12,18H,10H2,1-3H3,(H,19,20);1-2H3
InChIKeyKKNFCRCFZFIUGG-UHFFFAOYSA-N
MW393.51 g/mol
LogP3.13
Rot. Bonds8

About N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane

N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane (PubChem CID 143091986) has the molecular formula C20H27NO5S and a molecular weight of 393.51 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane
PubChem CID143091986
Molecular FormulaC20H27NO5S
Molecular Weight393.51 g/mol
Exact Mass393.16
IUPAC NameN-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane
SMILESCC.COc1ccc(CC(NC=O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1
InChIInChI=1S/C18H21NO5S.C2H6/c1-13-4-8-16(9-5-13)25(21,22)18(19-12-20)10-14-6-7-15(23-2)11-17(14)24-3;1-2/h4-9,11-12,18H,10H2,1-3H3,(H,19,20);1-2H3
InChIKeyKKNFCRCFZFIUGG-UHFFFAOYSA-N
XLogP3.13
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.51
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

2,4-dimethoxy-1-[4-(4-methylphenyl)sulfonylphenoxy]benzene
CID 90324050
(2R)-2-(2,4-dimethoxyphenyl)-2-(4-methylphenyl)sulfonylethanamine
CID 9167931
3-(2,4-dimethoxyphenyl)-N-ethyl-2-methylpropan-1-amine
CID 64664546
[4-methoxy-2-(4-methylphenoxy)phenyl]methanol
CID 54366754
1-(chloromethyl)-4-methoxy-2-(4-methylphenoxy)benzene
CID 22767846
(2R)-1-(2,4-dimethoxyphenyl)propan-2-ol
CID 75406786
1-[4-(4-methoxyphenoxy)phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)phenoxy]phenyl]sulfonyl-4-methylbenzene;1-[4-[4-(4-methoxyphenyl)sulfonylphenoxy]phenyl]sulfonyl-4-methylbenzene
CID 158042386
1-(2,4-dimethoxyphenyl)-N-methylmethanesulfonamide
CID 165442745
4-methyl-N-(2,4,6-trimethoxyphenyl)benzenesulfonamide
CID 110778552
N-[(2,4-dimethoxyphenyl)methyl]-2,5-dimethylbenzenesulfonamide
CID 94639909
2-(2,4-dimethoxyphenyl)-N-[(4-methylphenyl)methyl]acetamide
CID 9428047
N-[(2,4-dimethoxyphenyl)methyl]-2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanylbutanamide
CID 46673518

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane?
The IUPAC name of N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane (CID 143091986) is N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane.
What is the SMILES notation for N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane?
The canonical SMILES for N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane is CC.COc1ccc(CC(NC=O)S(=O)(=O)c2ccc(C)cc2)c(OC)c1.
What is the InChIKey of N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane?
The InChIKey is KKNFCRCFZFIUGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21NO5S.C2H6/c1-13-4-8-16(9-5-13)25(21,22)18(19-12-20)10-14-6-7-15(23-2)11-17(14)24-3;1-2/h4-9,11-12,18H,10H2,1-3H3,(H,19,20);1-2H3.
What are the key properties of N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane?
N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane has a molecular weight of 393.51 g/mol, XLogP of 3.13, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxyphenyl)-1-(4-methylphenyl)sulfonylethyl]formamide;ethane is sourced from PubChem (CID 143091986), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).