N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

C20H25ClN2O4S — CID 37402033

IUPACN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-27-19-10-9-16(11-17(19)21)22-20(24)12-23(28(4,25)26)18-8-6-5-7-15(18)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyRKIQCRIKXTXCGO-UHFFFAOYSA-N
MW424.95 g/mol
LogP4.09
Rot. Bonds8

About N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide

N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 37402033) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
PubChem CID37402033
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
SMILESCc1ccccc1N(CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-14(2)13-27-19-10-9-16(11-17(19)21)22-20(24)12-23(28(4,25)26)18-8-6-5-7-15(18)3/h5-11,14H,12-13H2,1-4H3,(H,22,24)
InChIKeyRKIQCRIKXTXCGO-UHFFFAOYSA-N
XLogP4.09
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-chloro-4-methoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3335724
N-(3,4-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 3139212
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-[1-(2-methylphenoxy)propan-2-yl]acetamide
CID 43895945
N-(3,5-dimethoxyphenyl)-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 8572707
2-(2-methyl-N-methylsulfonylanilino)-N-(4-phenoxyphenyl)acetamide
CID 8574795
2-(4-chloro-2-methyl-N-methylsulfonylanilino)-N-(3,4-dimethoxyphenyl)acetamide
CID 1098011
2-(2-methyl-N-methylsulfonylanilino)-N-(4-pyridin-4-yloxyphenyl)acetamide
CID 49363518
2-(2-chloro-N-methylsulfonylanilino)-N-(4-methylphenyl)acetamide
CID 51343169
N-[4-(difluoromethoxy)-3-(4-methoxyphenyl)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 37040678
N-(3,4-dichlorophenyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 21372378
N-[3-(diethylsulfamoyl)-4-methylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 30837672
2-(2-chloro-N-methylsulfonylanilino)-N-(3-methylphenyl)acetamide
CID 51343168

Frequently Asked Questions

What is the IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide (CID 37402033) is N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is Cc1ccccc1N(CC(=O)Nc1ccc(OCC(C)C)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is RKIQCRIKXTXCGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-14(2)13-27-19-10-9-16(11-17(19)21)22-20(24)12-23(28(4,25)26)18-8-6-5-7-15(18)3/h5-11,14H,12-13H2,1-4H3,(H,22,24).
What are the key properties of N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide?
N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 424.95 g/mol, XLogP of 4.09, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-chloro-4-(2-methylpropoxy)phenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 37402033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).