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

C14H22N2O3S — CID 3800769

IUPACN-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-12(3)15-14(17)10-16(20(4,18)19)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,15,17)
InChIKeyNWZXDQJQHGGQQN-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.68
Rot. Bonds6

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

N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 3800769) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
PubChem CID3800769
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide
SMILESCCC(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O
InChIInChI=1S/C14H22N2O3S/c1-5-12(3)15-14(17)10-16(20(4,18)19)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,15,17)
InChIKeyNWZXDQJQHGGQQN-UHFFFAOYSA-N
XLogP1.68
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-butan-2-yl-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 3138299
N-butan-2-yl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 43891595
N-butan-2-yl-2-(2,4-dimethyl-N-methylsulfonylanilino)acetamide
CID 43891593
N-[(2S)-butan-2-yl]-2-(N-methylsulfonyl-4-phenoxyanilino)acetamide
CID 2271012
2-(4-ethoxy-N-methylsulfonylanilino)-N-[(2S)-1-(4-methylphenoxy)propan-2-yl]acetamide
CID 30220437
N-[(2R)-butan-2-yl]-2-(3,4-dichloro-N-methylsulfonylanilino)acetamide
CID 2286726
N-[1-(4-methylphenoxy)propan-2-yl]-2-(N-methylsulfonyl-4-propoxyanilino)acetamide
CID 43901368
N-[(2R)-butan-2-yl]-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 2271520
2-(4-chloro-N-methylsulfonylanilino)-N-[(1R)-1-(4-methylphenyl)propyl]acetamide
CID 38015285
2-(4-iodo-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43897350
2-(4-fluoro-N-methylsulfonylanilino)-N-[1-(4-methylphenoxy)propan-2-yl]acetamide
CID 43895852
2-(4-methyl-N-(4-methylphenyl)sulfonylanilino)-N-pentan-2-ylacetamide
CID 21371767

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide (CID 3800769) is N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide is CCC(C)NC(=O)CN(c1ccc(C)cc1)S(C)(=O)=O.
What is the InChIKey of N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is NWZXDQJQHGGQQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-12(3)15-14(17)10-16(20(4,18)19)13-8-6-11(2)7-9-13/h6-9,12H,5,10H2,1-4H3,(H,15,17).
What are the key properties of N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide?
N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 298.41 g/mol, XLogP of 1.68, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-2-(4-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 3800769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).