2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

C17H19ClN2O3S2 — CID 55439516

IUPAC2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(13-3-9-16(10-4-13)25(19,22)23)20(2)17(21)11-24-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,22,23)
InChIKeyRXVWAFPNBYGSSU-UHFFFAOYSA-N
MW398.94 g/mol
LogP3.30
Rot. Bonds6

About 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide

2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 55439516) has the molecular formula C17H19ClN2O3S2 and a molecular weight of 398.94 g/mol. Its IUPAC name is 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID55439516
Molecular FormulaC17H19ClN2O3S2
Molecular Weight398.94 g/mol
Exact Mass398.05
IUPAC Name2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
SMILESCC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1
InChIInChI=1S/C17H19ClN2O3S2/c1-12(13-3-9-16(10-4-13)25(19,22)23)20(2)17(21)11-24-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,22,23)
InChIKeyRXVWAFPNBYGSSU-UHFFFAOYSA-N
XLogP3.30
TPSA80.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.94
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chlorophenoxy)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253861
N-methyl-3-(4-propan-2-ylphenyl)-N-[1-(4-sulfamoylphenyl)ethyl]propanamide
CID 55789846
4-[(1R)-1-[(4-chlorophenyl)methyl-methylamino]ethyl]benzenesulfonamide
CID 35886708
2-(4-bromophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 42919756
N-[1-(4-chlorophenyl)ethyl]-N,3-dimethylbutanamide
CID 134003876
N,2-dimethyl-N-[1-(4-sulfamoylphenyl)ethyl]butanamide
CID 47141179
(E)-3-(3,5-dichlorophenyl)-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]prop-2-enamide
CID 24560290
3-chloro-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]benzamide
CID 46635500
N-methyl-2-phenoxy-N-[1-(4-sulfamoylphenyl)ethyl]acetamide
CID 51253817
4-amino-N-[1-(4-chlorophenyl)ethyl]-N-methylbutanamide
CID 54870716
4-[2-[1-(4-chlorophenyl)ethyl-methylamino]-2-oxoethyl]sulfanyl-3-nitrobenzamide
CID 43059940
2-(4-sulfamoylphenyl)sulfanylacetic acid
CID 43453735

Frequently Asked Questions

What is the IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide (CID 55439516) is 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is CC(c1ccc(S(N)(=O)=O)cc1)N(C)C(=O)CSc1ccc(Cl)cc1.
What is the InChIKey of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is RXVWAFPNBYGSSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19ClN2O3S2/c1-12(13-3-9-16(10-4-13)25(19,22)23)20(2)17(21)11-24-15-7-5-14(18)6-8-15/h3-10,12H,11H2,1-2H3,(H2,19,22,23).
What are the key properties of 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide?
2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 398.94 g/mol, XLogP of 3.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chlorophenyl)sulfanyl-N-methyl-N-[1-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 55439516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).