4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide

C22H22N2O3S — CID 24679199

IUPAC4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-23-22(25)18-8-6-16(7-9-18)15-24(20-11-12-20)28(26,27)21-13-10-17-4-2-3-5-19(17)14-21/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25)
InChIKeyATIKVIHNKCAXKG-UHFFFAOYSA-N
MW394.50 g/mol
LogP3.55
Rot. Bonds6

About 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide

4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide (PubChem CID 24679199) has the molecular formula C22H22N2O3S and a molecular weight of 394.50 g/mol. Its IUPAC name is 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
PubChem CID24679199
Molecular FormulaC22H22N2O3S
Molecular Weight394.50 g/mol
Exact Mass394.14
IUPAC Name4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3ccccc3c2)cc1
InChIInChI=1S/C22H22N2O3S/c1-23-22(25)18-8-6-16(7-9-18)15-24(20-11-12-20)28(26,27)21-13-10-17-4-2-3-5-19(17)14-21/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25)
InChIKeyATIKVIHNKCAXKG-UHFFFAOYSA-N
XLogP3.55
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]benzamide
CID 24679131
4-[[cyclopropyl(2,3-dihydro-1,4-benzodioxin-6-ylsulfonyl)amino]methyl]-N-methylbenzamide
CID 24679207
4-[[cyclopropyl-(2-naphthalen-2-ylacetyl)amino]methyl]-N-methylbenzamide
CID 33351222
4-[cyclopropyl(ethyl)sulfamoyl]-N-methylbenzamide
CID 24679124
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]naphthalene-2-carboxamide
CID 8964487
4-[[[4-chloro-2-(trifluoromethyl)phenyl]sulfonyl-cyclopropylamino]methyl]-N-methylbenzamide
CID 24679241
4-[[cyclopropyl-(4-methylsulfonylbenzoyl)amino]methyl]-N-methylbenzamide
CID 33351444
N-methyl-4-[[methyl(naphthalen-2-ylcarbamoyl)amino]methyl]benzamide
CID 78871682
4-[[benzoyl(cyclopropyl)amino]methyl]-N-methylbenzamide
CID 33351912
N-cyclopropyl-4-[[cyclopropyl(3,4-dihydro-2H-1,5-benzodioxepin-7-ylsulfonyl)amino]methyl]benzamide
CID 24679174
methyl 3-[cyclopropyl-[(4-methylphenyl)methyl]sulfamoyl]benzoate
CID 35403081
4-[[cyclopropyl-[4-(trifluoromethylsulfonyl)benzoyl]amino]methyl]-N-methylbenzamide
CID 37154016

Frequently Asked Questions

What is the IUPAC name of 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide (CID 24679199) is 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C2CC2)S(=O)(=O)c2ccc3ccccc3c2)cc1.
What is the InChIKey of 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide?
The InChIKey is ATIKVIHNKCAXKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N2O3S/c1-23-22(25)18-8-6-16(7-9-18)15-24(20-11-12-20)28(26,27)21-13-10-17-4-2-3-5-19(17)14-21/h2-10,13-14,20H,11-12,15H2,1H3,(H,23,25).
What are the key properties of 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide?
4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide has a molecular weight of 394.50 g/mol, XLogP of 3.55, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[cyclopropyl(naphthalen-2-ylsulfonyl)amino]methyl]-N-methylbenzamide is sourced from PubChem (CID 24679199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).