3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide

C21H28N2O3S — CID 113069362

IUPAC3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C21H28N2O3S/c1-15(2)19-8-6-7-9-20(19)23(27(5,25)26)13-12-22-21(24)18-11-10-16(3)17(4)14-18/h6-11,14-15H,12-13H2,1-5H3,(H,22,24)
InChIKeyDNDMVRHVNHBZAI-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.62
Rot. Bonds7

About 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide

3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide (PubChem CID 113069362) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide.

Molecular Properties

Compound Name3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
PubChem CID113069362
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC Name3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
SMILESCc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C
InChIInChI=1S/C21H28N2O3S/c1-15(2)19-8-6-7-9-20(19)23(27(5,25)26)13-12-22-21(24)18-11-10-16(3)17(4)14-18/h6-11,14-15H,12-13H2,1-5H3,(H,22,24)
InChIKeyDNDMVRHVNHBZAI-UHFFFAOYSA-N
XLogP3.62
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3,4-dimethyl-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068544
N-[2-(2-fluoro-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113069673
4-methoxy-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide
CID 113069361
N-[2-(5-chloro-2-methyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113070047
N-[2-(3,5-dimethyl-N-methylsulfonylanilino)ethyl]-3,4-dimethylbenzamide
CID 113068983
N-[2-[4-(dimethylamino)-N-methylsulfonylanilino]ethyl]-3,4-dimethylbenzamide
CID 113071294
N-[2-[butan-2-yl(methylsulfonyl)amino]ethyl]-3,4-dimethylbenzamide
CID 113065594
3-fluoro-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]benzamide
CID 113069555
2-ethyl-N-[2-(2-methyl-N-methylsulfonyl-6-propan-2-ylanilino)ethyl]butanamide
CID 113069547
N-[(1S)-1-(3,4-dimethylphenyl)ethyl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30303248
3-methoxy-N-[2-(2-methyl-N-methylsulfonylanilino)ethyl]benzamide
CID 113068540
N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]oxolane-2-carboxamide
CID 113069347

Frequently Asked Questions

What is the IUPAC name of 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The IUPAC name of 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide (CID 113069362) is 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide.
What is the SMILES notation for 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The canonical SMILES for 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide is Cc1ccc(C(=O)NCCN(c2ccccc2C(C)C)S(C)(=O)=O)cc1C.
What is the InChIKey of 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
The InChIKey is DNDMVRHVNHBZAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-15(2)19-8-6-7-9-20(19)23(27(5,25)26)13-12-22-21(24)18-11-10-16(3)17(4)14-18/h6-11,14-15H,12-13H2,1-5H3,(H,22,24).
What are the key properties of 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide?
3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide has a molecular weight of 388.53 g/mol, XLogP of 3.62, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-dimethyl-N-[2-(N-methylsulfonyl-2-propan-2-ylanilino)ethyl]benzamide is sourced from PubChem (CID 113069362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).