N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

C20H26N2O3S — CID 113068983

IUPACN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1cc(C)cc(N(CCNC(=O)c2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14-10-15(2)12-19(11-14)22(26(5,24)25)9-8-21-20(23)18-7-6-16(3)17(4)13-18/h6-7,10-13H,8-9H2,1-5H3,(H,21,23)
InChIKeyOGWKLALSLILNNX-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.12
Rot. Bonds6

About N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide

N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (PubChem CID 113068983) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
PubChem CID113068983
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
SMILESCc1cc(C)cc(N(CCNC(=O)c2ccc(C)c(C)c2)S(C)(=O)=O)c1
InChIInChI=1S/C20H26N2O3S/c1-14-10-15(2)12-19(11-14)22(26(5,24)25)9-8-21-20(23)18-7-6-16(3)17(4)13-18/h6-7,10-13H,8-9H2,1-5H3,(H,21,23)
InChIKeyOGWKLALSLILNNX-UHFFFAOYSA-N
XLogP3.12
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068979
3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-(3,4-dimethyl-N-methylsulfonylanilino)ethyl]-4-fluorobenzamide
CID 113068914
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
N-[2-(N-acetyl-3,5-dimethylanilino)ethyl]-3,4-dimethylbenzamide
CID 113057996
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
N-[2-[2-(dimethylamino)ethyl-methylsulfonylamino]ethyl]-3,4-dimethylbenzamide
CID 113066246
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069362
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
methyl 4-[2-[(4-methylbenzoyl)amino]ethyl-methylsulfonylamino]benzoate
CID 113071226

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The IUPAC name of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide (CID 113068983) is N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide.
What is the SMILES notation for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The canonical SMILES for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is Cc1cc(C)cc(N(CCNC(=O)c2ccc(C)c(C)c2)S(C)(=O)=O)c1.
What is the InChIKey of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
The InChIKey is OGWKLALSLILNNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14-10-15(2)12-19(11-14)22(26(5,24)25)9-8-21-20(23)18-7-6-16(3)17(4)13-18/h6-7,10-13H,8-9H2,1-5H3,(H,21,23).
What are the key properties of N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide?
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide has a molecular weight of 374.51 g/mol, XLogP of 3.12, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide is sourced from PubChem (CID 113068983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).