N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide

C20H26N2O3S — CID 134061332

IUPACN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CCNC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-22(19-10-5-7-16(2)13-19)12-11-21-20(23)18-9-6-8-17(14-18)15-26(3,24)25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,21,23)
InChIKeyFZDZSGOBOKZLMT-UHFFFAOYSA-N
MW374.51 g/mol
LogP2.80
Rot. Bonds8

About N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide

N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide (PubChem CID 134061332) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
PubChem CID134061332
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide
SMILESCCN(CCNC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccc(C)c1
InChIInChI=1S/C20H26N2O3S/c1-4-22(19-10-5-7-16(2)13-19)12-11-21-20(23)18-9-6-8-17(14-18)15-26(3,24)25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,21,23)
InChIKeyFZDZSGOBOKZLMT-UHFFFAOYSA-N
XLogP2.80
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-N-[2-(N-ethyl-3-methylanilino)ethyl]benzamide;dihydrochloride
CID 119831786
N-[3-[2-(N-ethyl-3-methylanilino)ethylamino]-3-oxopropyl]benzamide
CID 51151803
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 8909751
N-[2-(N-ethyl-3-methylanilino)ethyl]furan-2-carboxamide
CID 51193709
N-[2-(3-methylphenoxy)ethyl]-3-(methylsulfonylmethyl)benzamide
CID 27859309
2-(4-aminophenyl)-N-[2-(N-ethyl-3-methylanilino)ethyl]acetamide
CID 119831753
3-[[[ethylamino-[2-(N-ethyl-3-methylanilino)ethylamino]methylidene]amino]methyl]-N-methylbenzamide
CID 111330448
N-[2-(N-ethyl-3-methylanilino)ethyl]-3,4,5-trimethoxybenzamide
CID 8909756
N-[3-(3-methylphenoxy)propyl]-3-(methylsulfonylmethyl)benzamide
CID 27040363
N-[[4-(diethylaminomethyl)phenyl]methyl]-3-(methylsulfonylmethyl)benzamide
CID 17478307
N-[(2,4-dimethylphenyl)methyl]-3-(methylsulfonylmethyl)benzamide
CID 52571231
N-[2-(N-ethyl-3-methylanilino)ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 51112446

Frequently Asked Questions

What is the IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide?
The IUPAC name of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide (CID 134061332) is N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide?
The canonical SMILES for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide is CCN(CCNC(=O)c1cccc(CS(C)(=O)=O)c1)c1cccc(C)c1.
What is the InChIKey of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide?
The InChIKey is FZDZSGOBOKZLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-22(19-10-5-7-16(2)13-19)12-11-21-20(23)18-9-6-8-17(14-18)15-26(3,24)25/h5-10,13-14H,4,11-12,15H2,1-3H3,(H,21,23).
What are the key properties of N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide?
N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide has a molecular weight of 374.51 g/mol, XLogP of 2.80, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(N-ethyl-3-methylanilino)ethyl]-3-(methylsulfonylmethyl)benzamide is sourced from PubChem (CID 134061332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).