N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

C26H33N3O4S — CID 46565905

IUPACN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-7-14-23(34(32,33)29-15-5-4-6-19(29)2)16-24(18)26(31)28(3)17-20-8-10-21(11-9-20)25(30)27-22-12-13-22/h7-11,14,16,19,22H,4-6,12-13,15,17H2,1-3H3,(H,27,30)
InChIKeyAJPLCXPRIHILCH-UHFFFAOYSA-N
MW483.63 g/mol
LogP3.72
Rot. Bonds7

About N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide

N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 46565905) has the molecular formula C26H33N3O4S and a molecular weight of 483.63 g/mol. Its IUPAC name is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID46565905
Molecular FormulaC26H33N3O4S
Molecular Weight483.63 g/mol
Exact Mass483.22
IUPAC NameN-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1
InChIInChI=1S/C26H33N3O4S/c1-18-7-14-23(34(32,33)29-15-5-4-6-19(29)2)16-24(18)26(31)28(3)17-20-8-10-21(11-9-20)25(30)27-22-12-13-22/h7-11,14,16,19,22H,4-6,12-13,15,17H2,1-3H3,(H,27,30)
InChIKeyAJPLCXPRIHILCH-UHFFFAOYSA-N
XLogP3.72
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.63
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 4-[[methyl-[2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzoyl]amino]methyl]benzoate
CID 46402513
N-[(4-methoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 55342700
N-[(4-ethoxyphenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 46654602
N-[(3-fluorophenyl)methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 42909107
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-5-(diethylsulfamoyl)-N,2-dimethylbenzamide
CID 38394548
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide
CID 119384497
N-(2-aminoethyl)-2-methyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide;hydrochloride
CID 119384496
N-cyclopropyl-3-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 9165564
2-methyl-5-[(2R)-2-methylpiperidin-1-yl]sulfonyl-N-[2-(2-methylpropanoylamino)ethyl]benzamide
CID 35518524
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-4-[(2R)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 25476348
N-[(2S)-butan-2-yl]-2-methyl-5-[(2S)-2-methylpiperidin-1-yl]sulfonylbenzamide
CID 34674274
N-ethyl-2-methyl-5-(2-methylpiperidin-1-yl)sulfonyl-N-phenylbenzamide
CID 55363381

Frequently Asked Questions

What is the IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide (CID 46565905) is N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCCCC2C)cc1C(=O)N(C)Cc1ccc(C(=O)NC2CC2)cc1.
What is the InChIKey of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is AJPLCXPRIHILCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4S/c1-18-7-14-23(34(32,33)29-15-5-4-6-19(29)2)16-24(18)26(31)28(3)17-20-8-10-21(11-9-20)25(30)27-22-12-13-22/h7-11,14,16,19,22H,4-6,12-13,15,17H2,1-3H3,(H,27,30).
What are the key properties of N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide?
N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 483.63 g/mol, XLogP of 3.72, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-(cyclopropylcarbamoyl)phenyl]methyl]-N,2-dimethyl-5-(2-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 46565905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).