4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide

C21H19NO2S2 — CID 134922970

IUPAC4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#Cc2cccs2)C(C)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-17-10-12-21(13-11-17)26(23,24)22(15-14-20-9-6-16-25-20)18(2)19-7-4-3-5-8-19/h3-13,16,18H,1-2H3
InChIKeyDBZSFPFFOQGZPR-UHFFFAOYSA-N
MW381.52 g/mol
LogP4.82
Rot. Bonds4

About 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide

4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide (PubChem CID 134922970) has the molecular formula C21H19NO2S2 and a molecular weight of 381.52 g/mol. Its IUPAC name is 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide.

Molecular Properties

Compound Name4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
PubChem CID134922970
Molecular FormulaC21H19NO2S2
Molecular Weight381.52 g/mol
Exact Mass381.09
IUPAC Name4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide
SMILESCc1ccc(S(=O)(=O)N(C#Cc2cccs2)C(C)c2ccccc2)cc1
InChIInChI=1S/C21H19NO2S2/c1-17-10-12-21(13-11-17)26(23,24)22(15-14-20-9-6-16-25-20)18(2)19-7-4-3-5-8-19/h3-13,16,18H,1-2H3
InChIKeyDBZSFPFFOQGZPR-UHFFFAOYSA-N
XLogP4.82
TPSA37.38 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.52
LogP ≤ 54.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide with MolForge

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

Launch Full Analysis

Related Compounds

N,4-dimethyl-N-(1-thiophen-2-ylethyl)benzenesulfonamide
CID 47129065
4-methyl-N-(4-methylphenyl)sulfonyl-N-thiophen-2-ylbenzenesulfonamide
CID 11165697
N-(3-cyclohepta-2,4,6-trien-1-ylprop-2-ynyl)-4-methyl-N-(3-thiophen-2-ylprop-2-ynyl)benzenesulfonamide
CID 175964490
2-[2-(benzenesulfonyl)ethynyl]thiophene
CID 162405289
N-ethynyl-4-methyl-N-propan-2-ylbenzenesulfonamide
CID 11356829
N-methyl-N-(1-phenylethyl)benzenesulfonamide
CID 23331017
N-methyl-2-[methyl-(4-methylphenyl)sulfonylamino]-N-(1-thiophen-2-ylethyl)acetamide
CID 24552645
N-[1-(4-methoxyphenyl)ethyl]-4-methyl-N-phenylbenzenesulfonamide
CID 42841654
4-methyl-N-phenyl-N-(2-pyridin-2-ylethynyl)benzenesulfonamide
CID 11290994
methyl-oxo-phenyl-(2-thiophen-2-ylethynylimino)-λ6-sulfane
CID 132542660
N-chloro-N-(1-phenylethyl)benzenesulfonamide
CID 12844430
[4-[1-[bis(benzenesulfonyl)amino]ethyl]phenyl] 4-methylbenzenesulfonate
CID 102414473

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide?
The IUPAC name of 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide (CID 134922970) is 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide.
What is the SMILES notation for 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide?
The canonical SMILES for 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide is Cc1ccc(S(=O)(=O)N(C#Cc2cccs2)C(C)c2ccccc2)cc1.
What is the InChIKey of 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide?
The InChIKey is DBZSFPFFOQGZPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19NO2S2/c1-17-10-12-21(13-11-17)26(23,24)22(15-14-20-9-6-16-25-20)18(2)19-7-4-3-5-8-19/h3-13,16,18H,1-2H3.
What are the key properties of 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide?
4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide has a molecular weight of 381.52 g/mol, XLogP of 4.82, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-(1-phenylethyl)-N-(2-thiophen-2-ylethynyl)benzenesulfonamide is sourced from PubChem (CID 134922970), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).