2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide

C17H25ClN2O4S — CID 2177494

IUPAC2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O4S/c1-24-16-10-9-13(18)11-15(16)20(25(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyKTGIDLGVWOITMR-UHFFFAOYSA-N
MW388.92 g/mol
LogP2.95
Rot. Bonds6

About 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide

2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide (PubChem CID 2177494) has the molecular formula C17H25ClN2O4S and a molecular weight of 388.92 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
PubChem CID2177494
Molecular FormulaC17H25ClN2O4S
Molecular Weight388.92 g/mol
Exact Mass388.12
IUPAC Name2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide
SMILESCOc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(C)(=O)=O
InChIInChI=1S/C17H25ClN2O4S/c1-24-16-10-9-13(18)11-15(16)20(25(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21)
InChIKeyKTGIDLGVWOITMR-UHFFFAOYSA-N
XLogP2.95
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.92
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(5-chloro-N-(3,4-dimethoxyphenyl)sulfonyl-2-methoxyanilino)-N-cyclopentylacetamide
CID 999343
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 904036
N-cyclopentyl-2-(2,4-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1095298
N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetamide
CID 98230781
(2R)-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methoxyphenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125056386
(2R)-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylpropanamide
CID 125058630
(2R)-2-[benzyl-[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylbutanamide
CID 100524695
N-cycloheptyl-2-(2,4,5-trichloro-N-methylsulfonylanilino)acetamide
CID 1249582
(2R)-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclopentylpropanamide
CID 125052121
2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(4-methylphenyl)methyl]amino]-N-cyclohexylbutanamide
CID 132629304
(2R)-2-[[2-(5-chloro-2-methoxy-N-methylsulfonylanilino)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-cyclohexylbutanamide
CID 100584829

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The IUPAC name of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide (CID 2177494) is 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide.
What is the SMILES notation for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The canonical SMILES for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide is COc1ccc(Cl)cc1N(CC(=O)NC1CCCCCC1)S(C)(=O)=O.
What is the InChIKey of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide?
The InChIKey is KTGIDLGVWOITMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H25ClN2O4S/c1-24-16-10-9-13(18)11-15(16)20(25(2,22)23)12-17(21)19-14-7-5-3-4-6-8-14/h9-11,14H,3-8,12H2,1-2H3,(H,19,21).
What are the key properties of 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide?
2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide has a molecular weight of 388.92 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxy-N-methylsulfonylanilino)-N-cycloheptylacetamide is sourced from PubChem (CID 2177494), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).