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

C18H22N2O3S2 — CID 46642308

IUPACN-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCSCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13(15-8-10-17(11-9-15)25(19,22)23)20(2)18(21)16-6-4-14(5-7-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23)
InChIKeyBWLFUXPTZAXBJB-UHFFFAOYSA-N
MW378.52 g/mol
LogP3.03
Rot. Bonds6

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

N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (PubChem CID 46642308) has the molecular formula C18H22N2O3S2 and a molecular weight of 378.52 g/mol. Its IUPAC name is N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.

Molecular Properties

Compound NameN-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
PubChem CID46642308
Molecular FormulaC18H22N2O3S2
Molecular Weight378.52 g/mol
Exact Mass378.11
IUPAC NameN-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
SMILESCSCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1
InChIInChI=1S/C18H22N2O3S2/c1-13(15-8-10-17(11-9-15)25(19,22)23)20(2)18(21)16-6-4-14(5-7-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23)
InChIKeyBWLFUXPTZAXBJB-UHFFFAOYSA-N
XLogP3.03
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-butyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919954
4-iodo-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 42919716
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-4-methylsulfonyl-N-[1-(4-methylsulfonylphenyl)ethyl]benzamide
CID 42945819
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
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
3-bromo-N-methyl-N-[(1R)-1-(4-sulfamoylphenyl)ethyl]benzamide
CID 34735400
N-methyl-2-phenyl-N-[1-(4-sulfamoylphenyl)ethyl]pyrimidine-5-carboxamide
CID 86859015
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846

Frequently Asked Questions

What is the IUPAC name of N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The IUPAC name of N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide (CID 46642308) is N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide.
What is the SMILES notation for N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The canonical SMILES for N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is CSCc1ccc(C(=O)N(C)C(C)c2ccc(S(N)(=O)=O)cc2)cc1.
What is the InChIKey of N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
The InChIKey is BWLFUXPTZAXBJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N2O3S2/c1-13(15-8-10-17(11-9-15)25(19,22)23)20(2)18(21)16-6-4-14(5-7-16)12-24-3/h4-11,13H,12H2,1-3H3,(H2,19,22,23).
What are the key properties of N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide?
N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide has a molecular weight of 378.52 g/mol, XLogP of 3.03, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-4-(methylsulfanylmethyl)-N-[1-(4-sulfamoylphenyl)ethyl]benzamide is sourced from PubChem (CID 46642308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).