N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

C14H22N2O3S — CID 47141179

IUPACN,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)14(17)16(4)11(3)12-6-8-13(9-7-12)20(15,18)19/h6-11H,5H2,1-4H3,(H2,15,18,19)
InChIKeyMYVAGKQLTIWWCU-UHFFFAOYSA-N
MW298.41 g/mol
LogP1.90
Rot. Bonds5

About N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide

N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (PubChem CID 47141179) has the molecular formula C14H22N2O3S and a molecular weight of 298.41 g/mol. Its IUPAC name is N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.

Molecular Properties

Compound NameN,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
PubChem CID47141179
Molecular FormulaC14H22N2O3S
Molecular Weight298.41 g/mol
Exact Mass298.14
IUPAC NameN,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
SMILESCCC(C)C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H22N2O3S/c1-5-10(2)14(17)16(4)11(3)12-6-8-13(9-7-12)20(15,18)19/h6-11H,5H2,1-4H3,(H2,15,18,19)
InChIKeyMYVAGKQLTIWWCU-UHFFFAOYSA-N
XLogP1.90
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.41
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-amino-N,2-dimethyl-3-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 119689419
(2S)-2-amino-N-methyl-N-[(1S)-1-(4-methylsulfonylphenyl)ethyl]pentanamide
CID 124682679
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]cyclopentanecarboxamide
CID 34737287
N-methyl-N-[(1S)-1-(4-sulfamoylphenyl)ethyl]cyclobutanecarboxamide
CID 34737269
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
1-methyl-1-[(1S)-1-(4-sulfamoylphenyl)ethyl]-3-(2,2,2-trifluoroethyl)urea
CID 94117936
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635530
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817

Frequently Asked Questions

What is the IUPAC name of N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The IUPAC name of N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide (CID 47141179) is N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide.
What is the SMILES notation for N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The canonical SMILES for N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is CCC(C)C(=O)N(C)C(C)c1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
The InChIKey is MYVAGKQLTIWWCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O3S/c1-5-10(2)14(17)16(4)11(3)12-6-8-13(9-7-12)20(15,18)19/h6-11H,5H2,1-4H3,(H2,15,18,19).
What are the key properties of N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide?
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide has a molecular weight of 298.41 g/mol, XLogP of 1.90, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide is sourced from PubChem (CID 47141179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).