N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide

C18H21N3O4S2 — CID 9141188

IUPACN-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-3-6-14(7-4-12)20-17(22)10-26-11-18(23)21-15-8-5-13(2)16(9-15)27(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyRQRZYAXWOVAVRZ-UHFFFAOYSA-N
MW407.52 g/mol
LogP2.26
Rot. Bonds7

About N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide

N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide (PubChem CID 9141188) has the molecular formula C18H21N3O4S2 and a molecular weight of 407.52 g/mol. Its IUPAC name is N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
PubChem CID9141188
Molecular FormulaC18H21N3O4S2
Molecular Weight407.52 g/mol
Exact Mass407.10
IUPAC NameN-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide
SMILESCc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1
InChIInChI=1S/C18H21N3O4S2/c1-12-3-6-14(7-4-12)20-17(22)10-26-11-18(23)21-15-8-5-13(2)16(9-15)27(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25)
InChIKeyRQRZYAXWOVAVRZ-UHFFFAOYSA-N
XLogP2.26
TPSA118.36 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.52
LogP ≤ 52.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)methylsulfanyl]-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 9141145
2-[2-(2,3-dimethyl-5-sulfamoylanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9141642
3,3,3-trifluoro-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 47155694
N-(4-methyl-3-sulfamoylphenyl)-2-(prop-2-enylamino)acetamide
CID 78912240
3-(4-methylphenoxy)-N-(4-methyl-3-sulfamoylphenyl)propanamide
CID 9140975
2-(4-acetamidophenyl)-N-(4-methyl-3-sulfamoylphenyl)acetamide
CID 18277249
N-(4-methyl-3-sulfamoylphenyl)-2-(4-propan-2-ylphenyl)sulfanylacetamide
CID 35064694
2-[(4-methylphenyl)methylsulfanyl]-N-(4-sulfamoylphenyl)acetamide
CID 9314343
N-(4-methyl-3-sulfamoylphenyl)-2-(2,2,2-trifluoroethoxy)acetamide
CID 87002433
ethyl 2-[2-(4-methylanilino)-2-oxoethyl]sulfanylacetate
CID 4219982
2-[2-(3,4-dimethoxyanilino)-2-oxoethyl]sulfanyl-N-(4-methylphenyl)acetamide
CID 9458010
N-(4-methylphenyl)-2-[2-oxo-2-(4-phenylanilino)ethyl]sulfanylacetamide
CID 8880850

Frequently Asked Questions

What is the IUPAC name of N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide?
The IUPAC name of N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide (CID 9141188) is N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide.
What is the SMILES notation for N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide?
The canonical SMILES for N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide is Cc1ccc(NC(=O)CSCC(=O)Nc2ccc(C)c(S(N)(=O)=O)c2)cc1.
What is the InChIKey of N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide?
The InChIKey is RQRZYAXWOVAVRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O4S2/c1-12-3-6-14(7-4-12)20-17(22)10-26-11-18(23)21-15-8-5-13(2)16(9-15)27(19,24)25/h3-9H,10-11H2,1-2H3,(H,20,22)(H,21,23)(H2,19,24,25).
What are the key properties of N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide?
N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide has a molecular weight of 407.52 g/mol, XLogP of 2.26, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylphenyl)-2-[2-(4-methyl-3-sulfamoylanilino)-2-oxoethyl]sulfanylacetamide is sourced from PubChem (CID 9141188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).