N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide

C13H20N2O3S — CID 28579456

IUPACN-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)8-15-13(16)9-14-11-4-6-12(7-5-11)19(3,17)18/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyYWYIOKAAJWWRFL-UHFFFAOYSA-N
MW284.38 g/mol
LogP1.27
Rot. Bonds6

About N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide

N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide (PubChem CID 28579456) has the molecular formula C13H20N2O3S and a molecular weight of 284.38 g/mol. Its IUPAC name is N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
PubChem CID28579456
Molecular FormulaC13H20N2O3S
Molecular Weight284.38 g/mol
Exact Mass284.12
IUPAC NameN-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide
SMILESCC(C)CNC(=O)CNc1ccc(S(C)(=O)=O)cc1
InChIInChI=1S/C13H20N2O3S/c1-10(2)8-15-13(16)9-14-11-4-6-12(7-5-11)19(3,17)18/h4-7,10,14H,8-9H2,1-3H3,(H,15,16)
InChIKeyYWYIOKAAJWWRFL-UHFFFAOYSA-N
XLogP1.27
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.38
LogP ≤ 51.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-methylpropyl)-2-(4-sulfamoylanilino)acetamide
CID 112688467
2-(4-methylanilino)-N-(2-methylpropyl)acetamide
CID 28585751
2-(4-tert-butylanilino)-N-(2-methylpropyl)acetamide
CID 28571980
2-anilino-N-(2-methylpropyl)acetamide
CID 28565172
N-(2-methylpropyl)-2-(4-phenylanilino)acetamide
CID 60647076
N-(3-methoxypropyl)-2-(4-methylsulfonylanilino)acetamide
CID 60652870
2-[(6-tert-butylsulfonyl-3-pyridinyl)amino]-N-(2-methylpropyl)acetamide
CID 133360538
N-methyl-2-(4-methylsulfonylanilino)-N-propan-2-ylacetamide
CID 28579520
N-(2-methylpropyl)-2-(4-piperidin-1-ylanilino)acetamide
CID 60647120
2-amino-4-[[2-(2-methylpropylamino)-2-oxoethyl]amino]benzoic acid
CID 104500875
N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942320
2-(3,5-difluoroanilino)-N-(2-methylpropyl)acetamide
CID 28584200

Frequently Asked Questions

What is the IUPAC name of N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide (CID 28579456) is N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide is CC(C)CNC(=O)CNc1ccc(S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide?
The InChIKey is YWYIOKAAJWWRFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O3S/c1-10(2)8-15-13(16)9-14-11-4-6-12(7-5-11)19(3,17)18/h4-7,10,14H,8-9H2,1-3H3,(H,15,16).
What are the key properties of N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide?
N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide has a molecular weight of 284.38 g/mol, XLogP of 1.27, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylpropyl)-2-(4-methylsulfonylanilino)acetamide is sourced from PubChem (CID 28579456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).