4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide

C22H29ClN2O3S — CID 1311662

IUPAC4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C22H29ClN2O3S/c1-15(2)21(16(3)4)24-22(26)17-10-12-19(13-11-17)25(29(5,27)28)14-18-8-6-7-9-20(18)23/h6-13,15-16,21H,14H2,1-5H3,(H,24,26)
InChIKeyPWMIVWJXPUDWCW-UHFFFAOYSA-N
MW437.01 g/mol
LogP4.72
Rot. Bonds8

About 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide (PubChem CID 1311662) has the molecular formula C22H29ClN2O3S and a molecular weight of 437.01 g/mol. Its IUPAC name is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide.

Molecular Properties

Compound Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
PubChem CID1311662
Molecular FormulaC22H29ClN2O3S
Molecular Weight437.01 g/mol
Exact Mass436.16
IUPAC Name4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide
SMILESCC(C)C(NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)C(C)C
InChIInChI=1S/C22H29ClN2O3S/c1-15(2)21(16(3)4)24-22(26)17-10-12-19(13-11-17)25(29(5,27)28)14-18-8-6-7-9-20(18)23/h6-13,15-16,21H,14H2,1-5H3,(H,24,26)
InChIKeyPWMIVWJXPUDWCW-UHFFFAOYSA-N
XLogP4.72
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.01
LogP ≤ 54.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[(2R)-3-methylbutan-2-yl]benzamide
CID 100564011
N-[(2R)-butan-2-yl]-4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzamide
CID 1312128
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2-methoxyphenyl)ethyl]benzamide
CID 133161124
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-[1-(2,5-dimethoxyphenyl)ethyl]benzamide
CID 133235557
N-(2,4-dimethylpentan-3-yl)-4-[(4-fluorophenyl)methyl-methylsulfonylamino]benzamide
CID 53282646
2-[[4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoyl]amino]-N-(2-methylpropyl)benzamide
CID 1316910
ethyl 4-[(2-chlorophenyl)methyl-methylsulfonylamino]benzoate
CID 1281132
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(3-fluorophenyl)benzamide
CID 1311064
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(4-phenoxyphenyl)benzamide
CID 28589773
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methylpiperidin-4-yl)benzamide
CID 56700074
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(1-methyl-3-phenylpyrazol-5-yl)benzamide
CID 140515247

Frequently Asked Questions

What is the IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide?
The IUPAC name of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide (CID 1311662) is 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide.
What is the SMILES notation for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide?
The canonical SMILES for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide is CC(C)C(NC(=O)c1ccc(N(Cc2ccccc2Cl)S(C)(=O)=O)cc1)C(C)C.
What is the InChIKey of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide?
The InChIKey is PWMIVWJXPUDWCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29ClN2O3S/c1-15(2)21(16(3)4)24-22(26)17-10-12-19(13-11-17)25(29(5,27)28)14-18-8-6-7-9-20(18)23/h6-13,15-16,21H,14H2,1-5H3,(H,24,26).
What are the key properties of 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide?
4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide has a molecular weight of 437.01 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-chlorophenyl)methyl-methylsulfonylamino]-N-(2,4-dimethylpentan-3-yl)benzamide is sourced from PubChem (CID 1311662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).