2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide

C19H23N3O3S2 — CID 56539073

IUPAC2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCSCC2)cc1
InChIInChI=1S/C19H23N3O3S2/c20-27(24,25)17-7-5-15(6-8-17)13-19(23)21-18-4-2-1-3-16(18)14-22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)(H2,20,24,25)
InChIKeyVOMREEUQSJBYPW-UHFFFAOYSA-N
MW405.55 g/mol
LogP2.06
Rot. Bonds6

About 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide

2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide (PubChem CID 56539073) has the molecular formula C19H23N3O3S2 and a molecular weight of 405.55 g/mol. Its IUPAC name is 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
PubChem CID56539073
Molecular FormulaC19H23N3O3S2
Molecular Weight405.55 g/mol
Exact Mass405.12
IUPAC Name2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
SMILESNS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCSCC2)cc1
InChIInChI=1S/C19H23N3O3S2/c20-27(24,25)17-7-5-15(6-8-17)13-19(23)21-18-4-2-1-3-16(18)14-22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)(H2,20,24,25)
InChIKeyVOMREEUQSJBYPW-UHFFFAOYSA-N
XLogP2.06
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.55
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-amino-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869740
2-bromo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]benzamide
CID 49005061
2-(4-fluorophenyl)sulfanyl-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide
CID 49004814
4-(methylamino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide;dihydrochloride
CID 119869698
4-(4-chlorophenyl)-4-oxo-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057882
3-(2-methylpropoxy)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]propanamide
CID 51100289
3-(4-piperidin-1-ylsulfonylphenyl)-N-[2-(pyrrolidin-1-ylmethyl)phenyl]propanamide
CID 55676986
N-[1-[(2-methoxyphenyl)methyl]piperidin-4-yl]-2-(4-sulfamoylphenyl)acetamide
CID 56553050
N-[[2-(piperidin-1-ylmethyl)phenyl]methyl]-3-(4-sulfamoylphenyl)propanamide
CID 41438320
1-[(1-methylpyrazol-4-yl)methyl]-3-[2-(thiomorpholin-4-ylmethyl)phenyl]urea
CID 49119029
2-nitro-N-[2-(thiomorpholin-4-ylmethyl)phenyl]cyclopropane-1-carboxamide
CID 49004301
4-(4-nitroanilino)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]butanamide
CID 49057838

Frequently Asked Questions

What is the IUPAC name of 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The IUPAC name of 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide (CID 56539073) is 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide.
What is the SMILES notation for 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The canonical SMILES for 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide is NS(=O)(=O)c1ccc(CC(=O)Nc2ccccc2CN2CCSCC2)cc1.
What is the InChIKey of 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
The InChIKey is VOMREEUQSJBYPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O3S2/c20-27(24,25)17-7-5-15(6-8-17)13-19(23)21-18-4-2-1-3-16(18)14-22-9-11-26-12-10-22/h1-8H,9-14H2,(H,21,23)(H2,20,24,25).
What are the key properties of 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide?
2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide has a molecular weight of 405.55 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-sulfamoylphenyl)-N-[2-(thiomorpholin-4-ylmethyl)phenyl]acetamide is sourced from PubChem (CID 56539073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).