2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

C22H29N3O4S — CID 37231421

IUPAC2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(OC3CCCC3)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H29N3O4S/c1-16-11-12-18(14-21(16)30(27,28)25(2)3)24-22(26)15-23-17-7-6-10-20(13-17)29-19-8-4-5-9-19/h6-7,10-14,19,23H,4-5,8-9,15H2,1-3H3,(H,24,26)
InChIKeyAZERQPNMMRCILD-UHFFFAOYSA-N
MW431.56 g/mol
LogP3.62
Rot. Bonds8

About 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide

2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (PubChem CID 37231421) has the molecular formula C22H29N3O4S and a molecular weight of 431.56 g/mol. Its IUPAC name is 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.

Molecular Properties

Compound Name2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
PubChem CID37231421
Molecular FormulaC22H29N3O4S
Molecular Weight431.56 g/mol
Exact Mass431.19
IUPAC Name2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
SMILESCc1ccc(NC(=O)CNc2cccc(OC3CCCC3)c2)cc1S(=O)(=O)N(C)C
InChIInChI=1S/C22H29N3O4S/c1-16-11-12-18(14-21(16)30(27,28)25(2)3)24-22(26)15-23-17-7-6-10-20(13-17)29-19-8-4-5-9-19/h6-7,10-14,19,23H,4-5,8-9,15H2,1-3H3,(H,24,26)
InChIKeyAZERQPNMMRCILD-UHFFFAOYSA-N
XLogP3.62
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.56
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(cycloheptylamino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 4790618
2-[3-(dimethylsulfamoyl)-4-methylanilino]-N-(3-fluorophenyl)acetamide
CID 9100777
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-[3-(trifluoromethyl)anilino]acetamide
CID 26417269
N-(3-cyclopentyloxyphenyl)-2-[methyl-(4-methylphenyl)sulfonylamino]acetamide
CID 38405959
2-[(2-tert-butylcyclohexyl)amino]-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide
CID 56542928
2-(3-cyclopentyloxyanilino)-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 37231455
N-(4-chlorophenyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 9100739
N-(3-chloro-2-methylphenyl)-2-(3-cyclopentyloxyanilino)acetamide
CID 37231284
N-(3-cyclopentyloxyphenyl)-2-(cyclopropylmethylamino)acetamide;hydrochloride
CID 119714958
N-[3-(dimethylsulfamoyl)-4-methylphenyl]-2-(3-methoxyphenyl)acetamide
CID 3932456
N-(cyclopropylcarbamoyl)-2-[3-(dimethylsulfamoyl)-4-methylanilino]acetamide
CID 18096574
2-(4-cyclopentyloxyanilino)-N-phenylacetamide
CID 39998941

Frequently Asked Questions

What is the IUPAC name of 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The IUPAC name of 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide (CID 37231421) is 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide.
What is the SMILES notation for 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The canonical SMILES for 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is Cc1ccc(NC(=O)CNc2cccc(OC3CCCC3)c2)cc1S(=O)(=O)N(C)C.
What is the InChIKey of 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
The InChIKey is AZERQPNMMRCILD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29N3O4S/c1-16-11-12-18(14-21(16)30(27,28)25(2)3)24-22(26)15-23-17-7-6-10-20(13-17)29-19-8-4-5-9-19/h6-7,10-14,19,23H,4-5,8-9,15H2,1-3H3,(H,24,26).
What are the key properties of 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide?
2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide has a molecular weight of 431.56 g/mol, XLogP of 3.62, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-cyclopentyloxyanilino)-N-[3-(dimethylsulfamoyl)-4-methylphenyl]acetamide is sourced from PubChem (CID 37231421), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).