N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

C21H26N2O4S — CID 30217842

IUPACN-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H26N2O4S/c1-16-6-5-7-18(14-16)23(28(2,25)26)15-21(24)22-17-10-12-20(13-11-17)27-19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,22,24)
InChIKeyNORAHJAVBJKJAA-UHFFFAOYSA-N
MW402.52 g/mol
LogP3.72
Rot. Bonds7

About N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide

N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30217842) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30217842
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1cccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1
InChIInChI=1S/C21H26N2O4S/c1-16-6-5-7-18(14-16)23(28(2,25)26)15-21(24)22-17-10-12-20(13-11-17)27-19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,22,24)
InChIKeyNORAHJAVBJKJAA-UHFFFAOYSA-N
XLogP3.72
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methyl-N-methylsulfonylanilino)-N-[4-(1-methylpiperidin-4-yl)oxyphenyl]acetamide
CID 99971095
N-(4-cyclopentyloxyphenyl)-2-(3,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30221490
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
N-(4-cyclopentyloxyphenyl)-2-(3,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30221074
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(4-cyclopentyloxyphenyl)acetamide
CID 30223452
2-(3-methyl-N-methylsulfonylanilino)-N-(4-phenylmethoxyphenyl)acetamide
CID 51342544
N-(3-cyclopentyloxypropyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 30217888
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-(3-methyl-N-methylsulfonylanilino)acetamide
CID 1075752
2-(3,5-dimethyl-N-methylsulfonylanilino)-N-(4-ethoxyphenyl)acetamide
CID 51343121
N-(4-cyclopentyloxyphenyl)-2-(N-(4-ethoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 30227923
N-(4-cyclopentyloxyphenyl)-2-(2,5-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215347
2-(3-ethoxy-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 30257958

Frequently Asked Questions

What is the IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide (CID 30217842) is N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is Cc1cccc(N(CC(=O)Nc2ccc(OC3CCCC3)cc2)S(C)(=O)=O)c1.
What is the InChIKey of N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is NORAHJAVBJKJAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-6-5-7-18(14-16)23(28(2,25)26)15-21(24)22-17-10-12-20(13-11-17)27-19-8-3-4-9-19/h5-7,10-14,19H,3-4,8-9,15H2,1-2H3,(H,22,24).
What are the key properties of N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide?
N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 402.52 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-cyclopentyloxyphenyl)-2-(3-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30217842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).