N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide

C18H30N2O3S — CID 113154582

IUPACN-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-7-8-13-19(5)17(21)14-20(24(6,22)23)16-12-10-9-11-15(16)18(2,3)4/h9-12H,7-8,13-14H2,1-6H3
InChIKeyVNAXTNJZAYXBTA-UHFFFAOYSA-N
MW354.52 g/mol
LogP3.01
Rot. Bonds7

About N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide

N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide (PubChem CID 113154582) has the molecular formula C18H30N2O3S and a molecular weight of 354.52 g/mol. Its IUPAC name is N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide.

Molecular Properties

Compound NameN-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
PubChem CID113154582
Molecular FormulaC18H30N2O3S
Molecular Weight354.52 g/mol
Exact Mass354.20
IUPAC NameN-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide
SMILESCCCCN(C)C(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O
InChIInChI=1S/C18H30N2O3S/c1-7-8-13-19(5)17(21)14-20(24(6,22)23)16-12-10-9-11-15(16)18(2,3)4/h9-12H,7-8,13-14H2,1-6H3
InChIKeyVNAXTNJZAYXBTA-UHFFFAOYSA-N
XLogP3.01
TPSA57.69 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.52
LogP ≤ 53.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

N-butyl-2-(2-ethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154116
N-butyl-2-(2-fluoro-N-methylsulfonylanilino)-N-methylacetamide
CID 113154697
2-(N-acetyl-2-tert-butylanilino)-N-butyl-N-methylacetamide
CID 113170458
N-butyl-2-(3-chloro-2-methyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113154880
N-butyl-2-(2,4-dimethyl-N-methylsulfonylanilino)-N-methylacetamide
CID 113153840
N-butyl-3-(2-tert-butyl-N-methylsulfonylanilino)propanamide
CID 113143293
N-butyl-3-(2-fluoro-N-methylsulfonylanilino)-N-methylpropanamide
CID 113143446
2-(2-tert-butyl-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113154543
N-(2-tert-butylphenyl)-N-[2-(4-methylpiperidin-1-yl)-2-oxoethyl]methanesulfonamide
CID 113154551
N-[2-(2-tert-butyl-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113069583
methyl 4-[[2-[butyl(methyl)amino]-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156042
N-(2-tert-butylphenyl)-N-[3-(4-ethylpiperazin-1-yl)-3-oxopropyl]methanesulfonamide
CID 113143308

Frequently Asked Questions

What is the IUPAC name of N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide?
The IUPAC name of N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide (CID 113154582) is N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide.
What is the SMILES notation for N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide?
The canonical SMILES for N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide is CCCCN(C)C(=O)CN(c1ccccc1C(C)(C)C)S(C)(=O)=O.
What is the InChIKey of N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide?
The InChIKey is VNAXTNJZAYXBTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N2O3S/c1-7-8-13-19(5)17(21)14-20(24(6,22)23)16-12-10-9-11-15(16)18(2,3)4/h9-12H,7-8,13-14H2,1-6H3.
What are the key properties of N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide?
N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide has a molecular weight of 354.52 g/mol, XLogP of 3.01, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-2-(2-tert-butyl-N-methylsulfonylanilino)-N-methylacetamide is sourced from PubChem (CID 113154582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).