N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

C21H26N2O3S2 — CID 37400572

IUPACN-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23(2)15-21(24)22-17-9-11-19(12-10-17)27-18-5-3-4-6-18/h7-14,18H,3-6,15H2,1-2H3,(H,22,24)
InChIKeyIPJOQAAGKADPCR-UHFFFAOYSA-N
MW418.58 g/mol
LogP4.29
Rot. Bonds7

About N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide

N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (PubChem CID 37400572) has the molecular formula C21H26N2O3S2 and a molecular weight of 418.58 g/mol. Its IUPAC name is N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.

Molecular Properties

Compound NameN-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
PubChem CID37400572
Molecular FormulaC21H26N2O3S2
Molecular Weight418.58 g/mol
Exact Mass418.14
IUPAC NameN-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
SMILESCc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(SC3CCCC3)cc2)cc1
InChIInChI=1S/C21H26N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23(2)15-21(24)22-17-9-11-19(12-10-17)27-18-5-3-4-6-18/h7-14,18H,3-6,15H2,1-2H3,(H,22,24)
InChIKeyIPJOQAAGKADPCR-UHFFFAOYSA-N
XLogP4.29
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.58
LogP ≤ 54.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[methyl-(4-methylphenyl)sulfonylamino]-N-phenylacetamide
CID 2178261
2-[(4-ethylphenyl)sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 40735304
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 71825357
N-(4-chlorophenyl)-2-[methyl-(4-methylsulfanylphenyl)sulfonylamino]acetamide
CID 100530866
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-(4-methylsulfanylphenyl)acetamide
CID 27364864
2-[methyl-(4-methylphenyl)sulfonylamino]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 7957178
2-[(4-acetamidophenyl)sulfonyl-methylamino]-N-cyclohexylacetamide
CID 2640186
N-(4-cyclopentylsulfanylphenyl)-N'-methyl-N'-[(4-methylphenyl)methyl]oxamide
CID 75416450
N-(4-cyclopentylsulfanylphenyl)-2-[[(3R)-1,1-dioxothiolan-3-yl]-methylamino]acetamide
CID 94070419
N-(3-acetamidophenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 27055361
2-[[1-(cyclobutanecarbonyl)-2-methyl-2,3-dihydroindol-5-yl]sulfonyl-methylamino]-N-(4-methylphenyl)acetamide
CID 46276287

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The IUPAC name of N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide (CID 37400572) is N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide.
What is the SMILES notation for N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The canonical SMILES for N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is Cc1ccc(S(=O)(=O)N(C)CC(=O)Nc2ccc(SC3CCCC3)cc2)cc1.
What is the InChIKey of N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
The InChIKey is IPJOQAAGKADPCR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O3S2/c1-16-7-13-20(14-8-16)28(25,26)23(2)15-21(24)22-17-9-11-19(12-10-17)27-18-5-3-4-6-18/h7-14,18H,3-6,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide?
N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide has a molecular weight of 418.58 g/mol, XLogP of 4.29, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentylsulfanylphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide is sourced from PubChem (CID 37400572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).