N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide

C17H26N2O4S — CID 113155209

IUPACN-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-11-9-15(10-12-16)19(24(2,21)22)13-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyXWLSPPRPURXANW-UHFFFAOYSA-N
MW354.47 g/mol
LogP2.30
Rot. Bonds6

About N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide

N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide (PubChem CID 113155209) has the molecular formula C17H26N2O4S and a molecular weight of 354.47 g/mol. Its IUPAC name is N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
PubChem CID113155209
Molecular FormulaC17H26N2O4S
Molecular Weight354.47 g/mol
Exact Mass354.16
IUPAC NameN-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C17H26N2O4S/c1-23-16-11-9-15(10-12-16)19(24(2,21)22)13-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20)
InChIKeyXWLSPPRPURXANW-UHFFFAOYSA-N
XLogP2.30
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.47
LogP ≤ 52.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[2-(cycloheptylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113156039
N-cyclohexyl-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 1100054
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-cyclohexyl-2-[(4-methoxyphenyl)methyl-methylsulfonylamino]acetamide
CID 113151240
(2S)-N-cyclohexyl-2-[[2-(4-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]propanamide
CID 100513525
N-cyclopentyl-2-(4-methoxy-N-[(E)-2-phenylethenyl]sulfonylanilino)acetamide
CID 30883132
methyl 3-[[2-(cyclohexylamino)-2-oxoethyl]-methylsulfonylamino]benzoate
CID 113155935
N-(4-cyclopentyloxyphenyl)-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220186
2-[benzyl-[2-(4-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132619617
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylacetamide
CID 113154945
2-(3-bromo-N-methylsulfonylanilino)-N-cyclohexylacetamide
CID 1000068
N-cyclopropyl-2-[4-(diethylamino)-N-methylsulfonylanilino]acetamide
CID 113156212

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide (CID 113155209) is N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide is COc1ccc(N(CC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is XWLSPPRPURXANW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N2O4S/c1-23-16-11-9-15(10-12-16)19(24(2,21)22)13-17(20)18-14-7-5-3-4-6-8-14/h9-12,14H,3-8,13H2,1-2H3,(H,18,20).
What are the key properties of N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide?
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 354.47 g/mol, XLogP of 2.30, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 113155209), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).