4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

C20H26N2O3S — CID 42919954

IUPAC4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-16-7-9-18(10-8-16)20(23)22(3)15(2)17-11-13-19(14-12-17)26(21,24)25/h7-15H,4-6H2,1-3H3,(H2,21,24,25)
InChIKeyUIOPABCUGLDEGY-UHFFFAOYSA-N
MW374.51 g/mol
LogP3.51
Rot. Bonds7

About 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide

4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 42919954) has the molecular formula C20H26N2O3S and a molecular weight of 374.51 g/mol. Its IUPAC name is 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound Name4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID42919954
Molecular FormulaC20H26N2O3S
Molecular Weight374.51 g/mol
Exact Mass374.17
IUPAC Name4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCCCCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C20H26N2O3S/c1-4-5-6-16-7-9-18(10-8-16)20(23)22(3)15(2)17-11-13-19(14-12-17)26(21,24)25/h7-15H,4-6H2,1-3H3,(H2,21,24,25)
InChIKeyUIOPABCUGLDEGY-UHFFFAOYSA-N
XLogP3.51
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.51
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46642308
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
3-(4-butylphenyl)-1-methyl-1-[(1R)-1-(4-sulfamoylphenyl)ethyl]thiourea
CID 9215616
4-ethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253829
N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]-4-(2,2,2-trifluoroethoxymethyl)benzamide
CID 46699399
4-(aminomethyl)-N-methyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 119279454
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
4-butyl-N-(1-hydroxypropan-2-yl)-N-methylbenzamide
CID 113343131
N-methyl-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
3,5-dimethoxy-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51253856
3-(methoxymethyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 51254300

Frequently Asked Questions

What is the IUPAC name of 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 42919954) is 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CCCCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is UIOPABCUGLDEGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N2O3S/c1-4-5-6-16-7-9-18(10-8-16)20(23)22(3)15(2)17-11-13-19(14-12-17)26(21,24)25/h7-15H,4-6H2,1-3H3,(H2,21,24,25).
What are the key properties of 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 374.51 g/mol, XLogP of 3.51, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 42919954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).