N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

C15H24N2O3S — CID 30218239

IUPACN-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-15(3,4)16-14(18)11-17(21(5,19)20)13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3,(H,16,18)
InChIKeyRWLWWANREAIDOS-UHFFFAOYSA-N
MW312.44 g/mol
LogP2.07
Rot. Bonds6

About N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide

N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30218239) has the molecular formula C15H24N2O3S and a molecular weight of 312.44 g/mol. Its IUPAC name is N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30218239
Molecular FormulaC15H24N2O3S
Molecular Weight312.44 g/mol
Exact Mass312.15
IUPAC NameN-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C15H24N2O3S/c1-6-15(3,4)16-14(18)11-17(21(5,19)20)13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3,(H,16,18)
InChIKeyRWLWWANREAIDOS-UHFFFAOYSA-N
XLogP2.07
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.44
LogP ≤ 52.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-cyano-N-methylsulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 134044336
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 3800769
N-tert-butyl-2-(N-methylsulfonylanilino)acetamide
CID 51343017
N-tert-butyl-2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 4610141
2-(4-acetamido-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 113155819
2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 30216682
2-(N-(2-fluorophenyl)sulfonylanilino)-N-(2-methylbutan-2-yl)acetamide
CID 36574960
N-[2-(4-tert-butylphenoxy)ethyl]-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 94848392
N-(3-methoxypropyl)-2-(4-methyl-N-methylsulfonylanilino)acetamide
CID 2272160
2-(4-tert-butyl-N-methylsulfonylanilino)-N-[1-(2,5-dimethylphenyl)ethyl]acetamide
CID 43899281
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(4-acetyl-N-methylsulfonylanilino)-N-[(4-methylphenyl)methyl]acetamide
CID 113155611

Frequently Asked Questions

What is the IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide (CID 30218239) is N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is CCC(C)(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RWLWWANREAIDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N2O3S/c1-6-15(3,4)16-14(18)11-17(21(5,19)20)13-9-7-12(2)8-10-13/h7-10H,6,11H2,1-5H3,(H,16,18).
What are the key properties of N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide?
N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 312.44 g/mol, XLogP of 2.07, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylbutan-2-yl)-2-(4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30218239), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).