N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

C20H26N2O3S — CID 30258400

IUPACN-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-11-6-7-12-18(17)22(26(5,24)25)13-19(23)21-20-15(3)9-8-10-16(20)4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyIALBNNGYCKRWCF-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.83
Rot. Bonds6

About N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide

N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (PubChem CID 30258400) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.

Molecular Properties

Compound NameN-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
PubChem CID30258400
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC NameN-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
SMILESCc1cccc(C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O
InChIInChI=1S/C20H26N2O3S/c1-14(2)17-11-6-7-12-18(17)22(26(5,24)25)13-19(23)21-20-15(3)9-8-10-16(20)4/h6-12,14H,13H2,1-5H3,(H,21,23)
InChIKeyIALBNNGYCKRWCF-UHFFFAOYSA-N
XLogP3.83
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 ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30257850
N-(2,3-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30262005
2-(N-methylsulfonyl-2-propan-2-ylanilino)-N-phenylacetamide
CID 30257747
2-(2-methyl-N-methylsulfonylanilino)-N-(2-propan-2-ylphenyl)acetamide
CID 1317403
2-(2-chloro-N-methylsulfonylanilino)-N-(2,6-dimethylphenyl)acetamide
CID 1362391
N-(2-ethyl-6-methylphenyl)-2-(2-ethyl-N-methylsulfonylanilino)acetamide
CID 113154123
N-(4-iodo-2-methylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30268575
2-(N-methylsulfonyl-2-propan-2-ylanilino)acetyl chloride
CID 50893712
2-[methyl(methylsulfonyl)amino]-N-(2-methyl-6-propan-2-ylphenyl)acetamide
CID 30464682
2-(2-chloro-N-methylsulfonylanilino)-N-(2-ethyl-6-methylphenyl)acetamide
CID 113154792
N-(3-methoxyphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 30259702
N-[1-(2-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide
CID 43901342

Frequently Asked Questions

What is the IUPAC name of N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The IUPAC name of N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide (CID 30258400) is N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide.
What is the SMILES notation for N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The canonical SMILES for N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is Cc1cccc(C)c1NC(=O)CN(c1ccccc1C(C)C)S(C)(=O)=O.
What is the InChIKey of N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
The InChIKey is IALBNNGYCKRWCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-14(2)17-11-6-7-12-18(17)22(26(5,24)25)13-19(23)21-20-15(3)9-8-10-16(20)4/h6-12,14H,13H2,1-5H3,(H,21,23).
What are the key properties of N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide?
N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide has a molecular weight of 374.51 g/mol, XLogP of 3.83, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,6-dimethylphenyl)-2-(N-methylsulfonyl-2-propan-2-ylanilino)acetamide is sourced from PubChem (CID 30258400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).