2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide

C20H26N2O3S — CID 113069407

IUPAC2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-15(2)17-9-11-18(12-10-17)22(26(4,24)25)14-13-21-20(23)19-8-6-5-7-16(19)3/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyYBQDAJDPEUTDGS-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.31
Rot. Bonds7

About 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide

2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide (PubChem CID 113069407) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
PubChem CID113069407
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide
SMILESCc1ccccc1C(=O)NCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-15(2)17-9-11-18(12-10-17)22(26(4,24)25)14-13-21-20(23)19-8-6-5-7-16(19)3/h5-12,15H,13-14H2,1-4H3,(H,21,23)
InChIKeyYBQDAJDPEUTDGS-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2-methylphenyl)-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]acetamide
CID 113069429
2-methyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068533
N-[2-[1,3-benzodioxol-5-yl(methylsulfonyl)amino]ethyl]-2-methylbenzamide
CID 113071641
2-methoxy-N-[2-(4-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068703
N-[2-(2-ethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069169
N-[2-(2,6-diethyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069515
N-[2-(2-ethyl-6-methyl-N-methylsulfonylanilino)ethyl]-2-methylbenzamide
CID 113069299
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-2-fluorobenzamide
CID 113068977
(2R)-2-[(2-methylphenyl)methyl-[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]-N-propan-2-ylpropanamide
CID 125048895
N-methyl-2-[(2-methylphenyl)methyl-[2-(N-methylsulfonyl-4-propan-2-ylanilino)acetyl]amino]propanamide
CID 132675867
N-[2-(4-acetyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113071023
N-(3-methoxypropyl)-3-(N-methylsulfonyl-4-propan-2-ylanilino)propanamide
CID 113143055

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide (CID 113069407) is 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide is Cc1ccccc1C(=O)NCCN(c1ccc(C(C)C)cc1)S(C)(=O)=O.
What is the InChIKey of 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is YBQDAJDPEUTDGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-15(2)17-9-11-18(12-10-17)22(26(4,24)25)14-13-21-20(23)19-8-6-5-7-16(19)3/h5-12,15H,13-14H2,1-4H3,(H,21,23).
What are the key properties of 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide?
2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.31, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[2-(N-methylsulfonyl-4-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 113069407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).