N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide

C23H26N2O5S — CID 24679174

IUPACN-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C23H26N2O5S/c26-23(24-18-6-7-18)17-4-2-16(3-5-17)15-25(19-8-9-19)31(27,28)20-10-11-21-22(14-20)30-13-1-12-29-21/h2-5,10-11,14,18-19H,1,6-9,12-13,15H2,(H,24,26)
InChIKeyVSLYZTHTFDFVDF-UHFFFAOYSA-N
MW442.54 g/mol
LogP3.09
Rot. Bonds7

About N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide

N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide (PubChem CID 24679174) has the molecular formula C23H26N2O5S and a molecular weight of 442.54 g/mol. Its IUPAC name is N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide
PubChem CID24679174
Molecular FormulaC23H26N2O5S
Molecular Weight442.54 g/mol
Exact Mass442.16
IUPAC NameN-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide
SMILESO=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1
InChIInChI=1S/C23H26N2O5S/c26-23(24-18-6-7-18)17-4-2-16(3-5-17)15-25(19-8-9-19)31(27,28)20-10-11-21-22(14-20)30-13-1-12-29-21/h2-5,10-11,14,18-19H,1,6-9,12-13,15H2,(H,24,26)
InChIKeyVSLYZTHTFDFVDF-UHFFFAOYSA-N
XLogP3.09
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.54
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide with MolForge

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Related Compounds

4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679207
N-cyclopropyl-4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]benzamide
CID 24679131
N-cyclopropyl-3-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)propanamide
CID 9165528
4-[[[2-chloro-5-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-cyclopropylbenzamide
CID 24679147
N-(4-ethylcyclohexyl)-3,4-dihydro-2H-1,5-benzodioxepine-7-carboxamide
CID 112816440
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679199
N-cyclopropyl-4-[[cyclopropyl-[2-(4-nitrophenyl)ethylsulfonyl]amino]methyl]benzamide
CID 75384695
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonylamino)-N-[(4-methylphenyl)methyl]benzamide
CID 32590195
N-cyclopropyl-4-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)-3-nitrobenzamide
CID 133286961
N-cyclopropyl-2-(3,4-dihydro-2H-1,5-benzodioxepin-7-ylmethylamino)propanamide
CID 115672887
N-cyclopropyl-4-[[cyclopropyl(propanoyl)amino]methyl]benzamide
CID 33341018
4-[[benzenesulfonyl(methyl)amino]methyl]-N-cyclopropylbenzamide
CID 95933789

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide?
The IUPAC name of N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide (CID 24679174) is N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide.
What is the SMILES notation for N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide?
The canonical SMILES for N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide is O=C(NC1CC1)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3c(c2)OCCCO3)cc1.
What is the InChIKey of N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide?
The InChIKey is VSLYZTHTFDFVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O5S/c26-23(24-18-6-7-18)17-4-2-16(3-5-17)15-25(19-8-9-19)31(27,28)20-10-11-21-22(14-20)30-13-1-12-29-21/h2-5,10-11,14,18-19H,1,6-9,12-13,15H2,(H,24,26).
What are the key properties of N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide?
N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide has a molecular weight of 442.54 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide is sourced from PubChem (CID 24679174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).