2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

C21H22N2O3S2 — CID 90596877

IUPAC2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2-c2ccsc2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-7-8-16(2)20(11-15)28(25,26)23-13-21(24)22-12-17-5-3-4-6-19(17)18-9-10-27-14-18/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyUHUBBHXJFOXPAT-UHFFFAOYSA-N
MW414.55 g/mol
LogP3.63
Rot. Bonds7

About 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide

2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (PubChem CID 90596877) has the molecular formula C21H22N2O3S2 and a molecular weight of 414.55 g/mol. Its IUPAC name is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
PubChem CID90596877
Molecular FormulaC21H22N2O3S2
Molecular Weight414.55 g/mol
Exact Mass414.11
IUPAC Name2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
SMILESCc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2-c2ccsc2)c1
InChIInChI=1S/C21H22N2O3S2/c1-15-7-8-16(2)20(11-15)28(25,26)23-13-21(24)22-12-17-5-3-4-6-19(17)18-9-10-27-14-18/h3-11,14,23H,12-13H2,1-2H3,(H,22,24)
InChIKeyUHUBBHXJFOXPAT-UHFFFAOYSA-N
XLogP3.63
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.55
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-fluorophenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596889
2,4,6-trimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzamide
CID 90596839
2-[(2,4-dimethylphenyl)sulfonylamino]-N-[(2-methylphenyl)methyl]acetamide
CID 112992116
3,4-dimethyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597078
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 112992587
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[(2-thiophen-3-ylphenyl)methyl]undecanamide
CID 90596958
4-fluoro-3-methyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 71809982
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
2-thiophen-2-yl-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 71809924
2-(4-chlorophenyl)-N-[(2-thiophen-3-ylphenyl)methyl]acetamide
CID 90596848
4-acetyl-N-[(2-thiophen-3-ylphenyl)methyl]benzenesulfonamide
CID 90597091

Frequently Asked Questions

What is the IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The IUPAC name of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide (CID 90596877) is 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide.
What is the SMILES notation for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The canonical SMILES for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is Cc1ccc(C)c(S(=O)(=O)NCC(=O)NCc2ccccc2-c2ccsc2)c1.
What is the InChIKey of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
The InChIKey is UHUBBHXJFOXPAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N2O3S2/c1-15-7-8-16(2)20(11-15)28(25,26)23-13-21(24)22-12-17-5-3-4-6-19(17)18-9-10-27-14-18/h3-11,14,23H,12-13H2,1-2H3,(H,22,24).
What are the key properties of 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide?
2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide has a molecular weight of 414.55 g/mol, XLogP of 3.63, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,5-dimethylphenyl)sulfonylamino]-N-[(2-thiophen-3-ylphenyl)methyl]acetamide is sourced from PubChem (CID 90596877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).