N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide

C21H28N2O3S — CID 24678173

IUPACN-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-8-18-11-13-19(14-12-18)27(25,26)23(15-5-2)16-21(24)22-20-10-7-6-9-17(20)3/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,22,24)
InChIKeyVYIREYYKSRIOFS-UHFFFAOYSA-N
MW388.53 g/mol
LogP3.99
Rot. Bonds9

About N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide

N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide (PubChem CID 24678173) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
PubChem CID24678173
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide
SMILESCCCc1ccc(S(=O)(=O)N(CCC)CC(=O)Nc2ccccc2C)cc1
InChIInChI=1S/C21H28N2O3S/c1-4-8-18-11-13-19(14-12-18)27(25,26)23(15-5-2)16-21(24)22-20-10-7-6-9-17(20)3/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,22,24)
InChIKeyVYIREYYKSRIOFS-UHFFFAOYSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[(4-acetamidophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 4885065
N-(2,3-dimethylphenyl)-2-[2-methoxyethyl-(4-propylphenyl)sulfonylamino]acetamide
CID 24678262
2-[3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl(propyl)amino]-N-(2-methylphenyl)acetamide
CID 55352496
N-(2-methylphenyl)-2-[propyl-[3-(trifluoromethyl)phenyl]sulfonylamino]acetamide
CID 24678170
4-(dipropylsulfamoyl)-N-(2-methylphenyl)benzamide
CID 3936209
2-[benzenesulfonyl(benzyl)amino]-N-(2-methylphenyl)acetamide
CID 1119922
N-(2,5-dimethylphenyl)-2-[(4-methylphenyl)sulfonyl-(2-phenylethyl)amino]acetamide
CID 1141990
2-[(2,5-difluorophenyl)sulfonyl-propylamino]-N-(2-methylphenyl)acetamide
CID 40746083
2-[ethyl(naphthalen-2-ylsulfonyl)amino]-N-(2-methylphenyl)acetamide
CID 3485774
2-[benzenesulfonyl(2-phenylethyl)amino]-N-(2,6-dimethylphenyl)acetamide
CID 1123794
2-[(4-ethylphenyl)sulfonyl-propylamino]-N-(2,3,4-trifluorophenyl)acetamide
CID 39793374
2-[(4-chlorophenyl)sulfonyl-(2-phenylethyl)amino]-N-(2-ethylphenyl)acetamide
CID 1338968

Frequently Asked Questions

What is the IUPAC name of N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide (CID 24678173) is N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide is CCCc1ccc(S(=O)(=O)N(CCC)CC(=O)Nc2ccccc2C)cc1.
What is the InChIKey of N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide?
The InChIKey is VYIREYYKSRIOFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-4-8-18-11-13-19(14-12-18)27(25,26)23(15-5-2)16-21(24)22-20-10-7-6-9-17(20)3/h6-7,9-14H,4-5,8,15-16H2,1-3H3,(H,22,24).
What are the key properties of N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide?
N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide has a molecular weight of 388.53 g/mol, XLogP of 3.99, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methylphenyl)-2-[propyl-(4-propylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 24678173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).