N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C17H24N2O3S — CID 28590479

IUPACN-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CC1
InChIInChI=1S/C17H24N2O3S/c1-12-7-9-19(10-8-12)23(21,22)15-6-3-13(2)16(11-15)17(20)18-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,18,20)
InChIKeyBKLDBVUIDQAWID-UHFFFAOYSA-N
MW336.46 g/mol
LogP2.31
Rot. Bonds4

About N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 28590479) has the molecular formula C17H24N2O3S and a molecular weight of 336.46 g/mol. Its IUPAC name is N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID28590479
Molecular FormulaC17H24N2O3S
Molecular Weight336.46 g/mol
Exact Mass336.15
IUPAC NameN-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CC1
InChIInChI=1S/C17H24N2O3S/c1-12-7-9-19(10-8-12)23(21,22)15-6-3-13(2)16(11-15)17(20)18-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,18,20)
InChIKeyBKLDBVUIDQAWID-UHFFFAOYSA-N
XLogP2.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 52.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-methyl-N-(4-methylcyclohexyl)-5-morpholin-4-ylsulfonylbenzamide
CID 2675099
2-chloro-N-cyclohexyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591311
cis-(1R,3S)-3-[(2-methyl-5-piperidin-1-ylsulfonylbenzoyl)amino]cyclopentane-1-carboxylic acid
CID 120677581
N-cyclohexyl-2-methyl-5-(4-methylpiperazin-4-ium-1-yl)sulfonylbenzamide
CID 7376460
1-(3,4-dimethylphenyl)sulfonyl-4-methylpiperidine
CID 876436
N-cycloheptyl-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28591241
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
2,5-dimethyl-N-[4-(4-methylpiperidin-1-yl)sulfonylphenyl]benzamide
CID 9492798
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
2-methyl-N-[1-(2-methylpropanoyl)piperidin-4-yl]-5-piperidin-1-ylsulfonylbenzamide
CID 32542953
N-cyclopropyl-6-(4-methylpiperidin-1-yl)sulfonyl-1H-indene-2-carboxamide
CID 58356190

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 28590479) is N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is Cc1ccc(S(=O)(=O)N2CCC(C)CC2)cc1C(=O)NC1CC1.
What is the InChIKey of N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is BKLDBVUIDQAWID-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N2O3S/c1-12-7-9-19(10-8-12)23(21,22)15-6-3-13(2)16(11-15)17(20)18-14-4-5-14/h3,6,11-12,14H,4-5,7-10H2,1-2H3,(H,18,20).
What are the key properties of N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 336.46 g/mol, XLogP of 2.31, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 28590479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).