N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide

C33H51N3O4S — CID 10393519

IUPACN-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C33H51N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32(37)34-26-33(38)35-29-21-19-22-30(25-29)41(39,40)36-31-23-18-20-27(2)28(31)3/h18-23,25,36H,4-17,24,26H2,1-3H3,(H,34,37)(H,35,38)
InChIKeyCYSRBNOFNVFPLU-UHFFFAOYSA-N
MW585.86 g/mol
LogP8.03
Rot. Bonds21

About N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide

N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide (PubChem CID 10393519) has the molecular formula C33H51N3O4S and a molecular weight of 585.86 g/mol. Its IUPAC name is N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide.

Molecular Properties

Compound NameN-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide
PubChem CID10393519
Molecular FormulaC33H51N3O4S
Molecular Weight585.86 g/mol
Exact Mass585.36
IUPAC NameN-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide
SMILESCCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1
InChIInChI=1S/C33H51N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32(37)34-26-33(38)35-29-21-19-22-30(25-29)41(39,40)36-31-23-18-20-27(2)28(31)3/h18-23,25,36H,4-17,24,26H2,1-3H3,(H,34,37)(H,35,38)
InChIKeyCYSRBNOFNVFPLU-UHFFFAOYSA-N
XLogP8.03
TPSA104.37 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds21
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500585.86
LogP ≤ 58.03
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide?
The IUPAC name of N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide (CID 10393519) is N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide.
What is the SMILES notation for N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide?
The canonical SMILES for N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide is CCCCCCCCCCCCCCCCC(=O)NCC(=O)Nc1cccc(S(=O)(=O)Nc2cccc(C)c2C)c1.
What is the InChIKey of N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide?
The InChIKey is CYSRBNOFNVFPLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H51N3O4S/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-24-32(37)34-26-33(38)35-29-21-19-22-30(25-29)41(39,40)36-31-23-18-20-27(2)28(31)3/h18-23,25,36H,4-17,24,26H2,1-3H3,(H,34,37)(H,35,38).
What are the key properties of N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide?
N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide has a molecular weight of 585.86 g/mol, XLogP of 8.03, 21 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[3-[(2,3-dimethylphenyl)sulfamoyl]anilino]-2-oxoethyl]heptadecanamide is sourced from PubChem (CID 10393519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).