2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide

C22H22N2O4S2 — CID 4787744

IUPAC2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-17(25)19-9-11-21(12-10-19)30(27,28)24(15-18-6-3-2-4-7-18)16-22(26)23-14-20-8-5-13-29-20/h2-13H,14-16H2,1H3,(H,23,26)
InChIKeyDMMURBCMOZHOLB-UHFFFAOYSA-N
MW442.56 g/mol
LogP3.46
Rot. Bonds9

About 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide

2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide (PubChem CID 4787744) has the molecular formula C22H22N2O4S2 and a molecular weight of 442.56 g/mol. Its IUPAC name is 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
PubChem CID4787744
Molecular FormulaC22H22N2O4S2
Molecular Weight442.56 g/mol
Exact Mass442.10
IUPAC Name2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide
SMILESCC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)Cc2ccccc2)cc1
InChIInChI=1S/C22H22N2O4S2/c1-17(25)19-9-11-21(12-10-19)30(27,28)24(15-18-6-3-2-4-7-18)16-22(26)23-14-20-8-5-13-29-20/h2-13H,14-16H2,1H3,(H,23,26)
InChIKeyDMMURBCMOZHOLB-UHFFFAOYSA-N
XLogP3.46
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.56
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4822610
4-[benzyl(thiophen-2-ylmethyl)sulfamoyl]benzoic acid
CID 1169521
2-[benzenesulfonyl(benzyl)amino]-N-(furan-2-ylmethyl)acetamide
CID 1141916
2-[(4-acetylphenyl)sulfonyl-[(4-fluorophenyl)methyl]amino]-N-[(3-chlorophenyl)methyl]acetamide
CID 4789133
4-(diethylsulfamoyl)-N-(thiophen-2-ylmethyl)benzamide
CID 4882047
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]acetamide
CID 4181243
2-[benzenesulfonyl(benzyl)amino]-N-(2-phenylethyl)acetamide
CID 2681375
2-[benzenesulfonyl(benzyl)amino]-N-[(2-chlorophenyl)methyl]acetamide
CID 2545354
N-benzyl-N-[2-(2,2-dimethylhydrazinyl)-2-oxoethyl]benzenesulfonamide
CID 9179817
2-[benzyl-(4-bromophenyl)sulfonylamino]-N-ethylacetamide
CID 3136902
2-[benzyl-(4-fluorophenyl)sulfonylamino]-N-ethylacetamide
CID 30232535
2-[benzenesulfonyl(benzyl)amino]-N-(1,3-benzodioxol-5-ylmethyl)acetamide
CID 21380257

Frequently Asked Questions

What is the IUPAC name of 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide?
The IUPAC name of 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide (CID 4787744) is 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide?
The canonical SMILES for 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide is CC(=O)c1ccc(S(=O)(=O)N(CC(=O)NCc2cccs2)Cc2ccccc2)cc1.
What is the InChIKey of 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide?
The InChIKey is DMMURBCMOZHOLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O4S2/c1-17(25)19-9-11-21(12-10-19)30(27,28)24(15-18-6-3-2-4-7-18)16-22(26)23-14-20-8-5-13-29-20/h2-13H,14-16H2,1H3,(H,23,26).
What are the key properties of 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide?
2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide has a molecular weight of 442.56 g/mol, XLogP of 3.46, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-acetylphenyl)sulfonyl-benzylamino]-N-(thiophen-2-ylmethyl)acetamide is sourced from PubChem (CID 4787744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).