2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

C19H23N3O4S2 — CID 9141642

IUPAC2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C19H23N3O4S2/c1-12-4-6-15(7-5-12)21-18(23)10-27-11-19(24)22-17-9-16(28(20,25)26)8-13(2)14(17)3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyBAEWOMOGXVPEGO-UHFFFAOYSA-N
MW421.54 g/mol
LogP2.57
Rot. Bonds7

About 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide

2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (PubChem CID 9141642) has the molecular formula C19H23N3O4S2 and a molecular weight of 421.54 g/mol. Its IUPAC name is 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.

Molecular Properties

Compound Name2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
PubChem CID9141642
Molecular FormulaC19H23N3O4S2
Molecular Weight421.54 g/mol
Exact Mass421.11
IUPAC Name2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1
InChIInChI=1S/C19H23N3O4S2/c1-12-4-6-15(7-5-12)21-18(23)10-27-11-19(24)22-17-9-16(28(20,25)26)8-13(2)14(17)3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)(H2,20,25,26)
InChIKeyBAEWOMOGXVPEGO-UHFFFAOYSA-N
XLogP2.57
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.54
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
CID 9141188
2-(2,5-dimethylphenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141313
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-[[5-(4-methylanilino)-1,3,4-thiadiazol-2-yl]sulfanyl]acetamide
CID 55366896
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
2-[(5-chlorothiophen-2-yl)methylsulfanyl]-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 9141609
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(methylamino)acetamide;hydrochloride
CID 119689582
N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 47109493
2-(2,4-difluorophenyl)sulfanyl-N-(2,3-dimethyl-5-sulfamoylphenyl)acetamide
CID 27640834
4-amino-N-(2,3-dimethyl-5-sulfamoylphenyl)butanamide
CID 43703344
2-amino-N-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]acetamide
CID 60848496
N-(2,3-dimethyl-5-sulfamoylphenyl)-2-(propan-2-ylamino)acetamide
CID 60671270
2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145

Frequently Asked Questions

What is the IUPAC name of 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The IUPAC name of 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide (CID 9141642) is 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide.
What is the SMILES notation for 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The canonical SMILES for 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2cc(S(N)(=O)=O)cc(C)c2C)cc1.
What is the InChIKey of 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
The InChIKey is BAEWOMOGXVPEGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O4S2/c1-12-4-6-15(7-5-12)21-18(23)10-27-11-19(24)22-17-9-16(28(20,25)26)8-13(2)14(17)3/h4-9H,10-11H2,1-3H3,(H,21,23)(H,22,24)(H2,20,25,26).
What are the key properties of 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide?
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide has a molecular weight of 421.54 g/mol, XLogP of 2.57, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide is sourced from PubChem (CID 9141642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).