N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide

C16H22Cl2N2O3S — CID 113156955

IUPACN-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(16-13(17)9-6-10-14(16)18)11-15(21)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,21)
InChIKeyRRPFDHFENCREPG-UHFFFAOYSA-N
MW393.34 g/mol
LogP3.60
Rot. Bonds5

About N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide

N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide (PubChem CID 113156955) has the molecular formula C16H22Cl2N2O3S and a molecular weight of 393.34 g/mol. Its IUPAC name is N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
PubChem CID113156955
Molecular FormulaC16H22Cl2N2O3S
Molecular Weight393.34 g/mol
Exact Mass392.07
IUPAC NameN-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide
SMILESCS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1c(Cl)cccc1Cl
InChIInChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(16-13(17)9-6-10-14(16)18)11-15(21)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,21)
InChIKeyRRPFDHFENCREPG-UHFFFAOYSA-N
XLogP3.60
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.34
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
N-cyclohexyl-2-(2,3-dimethyl-N-methylsulfonylanilino)acetamide
CID 700395
2-(3-bromo-N-methylsulfonylanilino)-N-cyclopentylacetamide
CID 999619
N-cyclopropyl-2-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]acetamide
CID 113156587
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 2177494
2-(2,3-dichloro-N-methylsulfonylanilino)-N-(1-methylpiperidin-4-yl)acetamide
CID 50946237
N-cyclopropyl-2-(2-ethyl-6-methyl-N-methylsulfonylanilino)acetamide
CID 113154205
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide (CID 113156955) is N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide is CS(=O)(=O)N(CC(=O)NC1CCCCCC1)c1c(Cl)cccc1Cl.
What is the InChIKey of N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
The InChIKey is RRPFDHFENCREPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22Cl2N2O3S/c1-24(22,23)20(16-13(17)9-6-10-14(16)18)11-15(21)19-12-7-4-2-3-5-8-12/h6,9-10,12H,2-5,7-8,11H2,1H3,(H,19,21).
What are the key properties of N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide?
N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide has a molecular weight of 393.34 g/mol, XLogP of 3.60, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(2,6-dichloro-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113156955), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).