N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

C19H30N2O5S — CID 113145193

IUPACN-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H30N2O5S/c1-25-17-11-10-16(14-18(17)26-2)21(27(3,23)24)13-12-19(22)20-15-8-6-4-5-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22)
InChIKeyDBVJUBWGYCFRJD-UHFFFAOYSA-N
MW398.53 g/mol
LogP2.70
Rot. Bonds8

About N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide

N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (PubChem CID 113145193) has the molecular formula C19H30N2O5S and a molecular weight of 398.53 g/mol. Its IUPAC name is N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
PubChem CID113145193
Molecular FormulaC19H30N2O5S
Molecular Weight398.53 g/mol
Exact Mass398.19
IUPAC NameN-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(CCC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1OC
InChIInChI=1S/C19H30N2O5S/c1-25-17-11-10-16(14-18(17)26-2)21(27(3,23)24)13-12-19(22)20-15-8-6-4-5-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22)
InChIKeyDBVJUBWGYCFRJD-UHFFFAOYSA-N
XLogP2.70
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.53
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144351
N-cycloheptyl-3-(2,5-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145111
N-cyclopentyl-3-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142233
methyl 3-[[3-(cyclohexylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145595
3-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cycloheptylpropanamide
CID 113144205
4-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-cyclopropylbutanamide
CID 53280919
3-(4-bromo-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113144427
N-cyclopentyl-2-(3,4-dimethoxy-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1120603
3-(4-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146938
N-cyclopentyl-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145276
N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 113155209
3-(3-cyano-N-methylsulfonylanilino)-N-cyclopentylpropanamide
CID 113146821

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide (CID 113145193) is N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(CCC(=O)NC2CCCCCC2)S(C)(=O)=O)cc1OC.
What is the InChIKey of N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is DBVJUBWGYCFRJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O5S/c1-25-17-11-10-16(14-18(17)26-2)21(27(3,23)24)13-12-19(22)20-15-8-6-4-5-7-9-15/h10-11,14-15H,4-9,12-13H2,1-3H3,(H,20,22).
What are the key properties of N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide?
N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 398.53 g/mol, XLogP of 2.70, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-3-(3,4-dimethoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 113145193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).