2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide

C16H26N2O3S — CID 25353073

IUPAC2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)18(12(3)4)16(19)10-17-15-9-14(22(6,20)21)8-7-13(15)5/h7-9,11-12,17H,10H2,1-6H3
InChIKeyAMSOPACJRBDPHQ-UHFFFAOYSA-N
MW326.46 g/mol
LogP2.46
Rot. Bonds6

About 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide

2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide (PubChem CID 25353073) has the molecular formula C16H26N2O3S and a molecular weight of 326.46 g/mol. Its IUPAC name is 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide
PubChem CID25353073
Molecular FormulaC16H26N2O3S
Molecular Weight326.46 g/mol
Exact Mass326.17
IUPAC Name2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide
SMILESCc1ccc(S(C)(=O)=O)cc1NCC(=O)N(C(C)C)C(C)C
InChIInChI=1S/C16H26N2O3S/c1-11(2)18(12(3)4)16(19)10-17-15-9-14(22(6,20)21)8-7-13(15)5/h7-9,11-12,17H,10H2,1-6H3
InChIKeyAMSOPACJRBDPHQ-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.46
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(2-methoxyphenyl)ethyl]-2-(2-methyl-5-methylsulfonylanilino)acetamide
CID 31266867
N-(cyclopropylmethyl)-2-methyl-5-methylsulfonylaniline
CID 43685183
N,N-dimethyl-3-[[2-(2-methyl-5-methylsulfonylanilino)acetyl]amino]benzamide
CID 29471513
2-[(2-methyl-5-methylsulfonylphenyl)sulfamoyl]propanoic acid
CID 61454449
N,N-dimethyl-2-(2-methyl-5-propan-2-ylanilino)acetamide
CID 82496447
2-amino-N-(2-methyl-5-methylsulfonylphenyl)butanamide
CID 43703439
4-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 43685118
2-methyl-2-[(2-methyl-5-methylsulfonylanilino)methyl]butan-1-ol
CID 81412818
N-(2-methyl-5-methylsulfonylphenyl)-2-[[(1R)-2-methyl-1-(4-propan-2-ylphenyl)propyl]amino]acetamide
CID 97006326
2-(2-methyl-5-methylsulfonylanilino)-N-(1,2,3,4-tetrahydronaphthalen-1-yl)acetamide
CID 47018416
2-[5-(dimethylsulfamoyl)-2-methylanilino]-N-(4-methylphenyl)acetamide
CID 9100484
3-[(2-methyl-5-methylsulfonylanilino)methyl]benzene-1,2-diol
CID 61317456

Frequently Asked Questions

What is the IUPAC name of 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide?
The IUPAC name of 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide (CID 25353073) is 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide?
The canonical SMILES for 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide is Cc1ccc(S(C)(=O)=O)cc1NCC(=O)N(C(C)C)C(C)C.
What is the InChIKey of 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide?
The InChIKey is AMSOPACJRBDPHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3S/c1-11(2)18(12(3)4)16(19)10-17-15-9-14(22(6,20)21)8-7-13(15)5/h7-9,11-12,17H,10H2,1-6H3.
What are the key properties of 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide?
2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide has a molecular weight of 326.46 g/mol, XLogP of 2.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-methylsulfonylanilino)-N,N-di(propan-2-yl)acetamide is sourced from PubChem (CID 25353073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).