N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

C18H23N3O3S — CID 94613823

IUPACN-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(CCNC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20(15-9-5-4-6-10-15)14-13-19-18(22)16-11-7-8-12-17(16)21(2)25(3,23)24/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyXLEKDMJOKTVASI-UHFFFAOYSA-N
MW361.47 g/mol
LogP1.95
Rot. Bonds7

About N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide

N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (PubChem CID 94613823) has the molecular formula C18H23N3O3S and a molecular weight of 361.47 g/mol. Its IUPAC name is N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.

Molecular Properties

Compound NameN-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
PubChem CID94613823
Molecular FormulaC18H23N3O3S
Molecular Weight361.47 g/mol
Exact Mass361.15
IUPAC NameN-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide
SMILESCN(CCNC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C18H23N3O3S/c1-20(15-9-5-4-6-10-15)14-13-19-18(22)16-11-7-8-12-17(16)21(2)25(3,23)24/h4-12H,13-14H2,1-3H3,(H,19,22)
InChIKeyXLEKDMJOKTVASI-UHFFFAOYSA-N
XLogP1.95
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.47
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-N,4-N-bis[2-(N-methylanilino)ethyl]benzene-1,4-dicarboxamide
CID 35617422
N-[(2-fluorophenyl)methyl]-2-[methyl(methylsulfonyl)amino]benzamide
CID 18152498
2,4,5-trimethyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 100710814
N-[2-(N-methylanilino)ethyl]-2-nitrobenzamide
CID 25395219
2-bromo-3-methyl-N-[2-(N-methylanilino)ethyl]benzamide
CID 103852994
2-ethoxy-N-[2-(N-methylanilino)ethyl]benzamide
CID 25395275
3-amino-2-chloro-N-[2-(N-methylanilino)ethyl]benzamide
CID 115930279
N-[2-(N-methylanilino)ethyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30217607
N-[2-(N-methylanilino)ethyl]-2-(trifluoromethylsulfonyl)pyridine-3-carboxamide
CID 56500916
N-[2-(N-methylanilino)ethyl]-2-(N-methylsulfonylanilino)propanamide
CID 132656451
2-[methyl(methylsulfonyl)amino]-N-propan-2-ylbenzamide
CID 51335107
2-(2-ethyl-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30219322

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The IUPAC name of N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide (CID 94613823) is N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide.
What is the SMILES notation for N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The canonical SMILES for N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is CN(CCNC(=O)c1ccccc1N(C)S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
The InChIKey is XLEKDMJOKTVASI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O3S/c1-20(15-9-5-4-6-10-15)14-13-19-18(22)16-11-7-8-12-17(16)21(2)25(3,23)24/h4-12H,13-14H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide?
N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide has a molecular weight of 361.47 g/mol, XLogP of 1.95, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-methylanilino)ethyl]-2-[methyl(methylsulfonyl)amino]benzamide is sourced from PubChem (CID 94613823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).