2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide

C17H27N3O3S — CID 51127734

IUPAC2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C17H27N3O3S/c1-12-4-7-20(8-5-12)9-6-19-17(21)15-11-16(24(18,22)23)14(3)10-13(15)2/h10-12H,4-9H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyLVEOEDHRCSJWQS-UHFFFAOYSA-N
MW353.49 g/mol
LogP1.41
Rot. Bonds5

About 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide

2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide (PubChem CID 51127734) has the molecular formula C17H27N3O3S and a molecular weight of 353.49 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
PubChem CID51127734
Molecular FormulaC17H27N3O3S
Molecular Weight353.49 g/mol
Exact Mass353.18
IUPAC Name2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide
SMILESCc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCC(C)CC1
InChIInChI=1S/C17H27N3O3S/c1-12-4-7-20(8-5-12)9-6-19-17(21)15-11-16(24(18,22)23)14(3)10-13(15)2/h10-12H,4-9H2,1-3H3,(H,19,21)(H2,18,22,23)
InChIKeyLVEOEDHRCSJWQS-UHFFFAOYSA-N
XLogP1.41
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.49
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2,4,5-trimethyl-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 100709827
2-bromo-5-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 78904784
2-methyl-5-(4-methylpiperidin-1-yl)sulfonyl-N-(2-morpholin-4-ylethyl)benzamide
CID 6471941
4-amino-2-chloro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241420
2,5-difluoro-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 47036202
2-amino-4-chloro-N-[3-(4-methylpiperidin-1-yl)propyl]benzamide
CID 61111407
N-(2-methoxy-2-methylpropyl)-2,4-dimethyl-5-sulfamoylbenzamide
CID 115661128
N-[2-(4-methylpiperidin-1-yl)ethyl]-2-oxo-1H-pyridine-4-carboxamide
CID 103764080
3-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]benzamide
CID 61241803
2-methyl-N-[2-(4-methylpiperidin-1-yl)ethyl]quinoline-4-carboxamide
CID 166181784
2-methyl-N-[4-methyl-3-[2-(4-methylpiperidin-1-yl)ethylcarbamoylamino]phenyl]propanamide
CID 47041609
2-amino-N-[2-(4-methylpiperidin-1-yl)ethyl]propanamide
CID 61241466

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide?
The IUPAC name of 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide (CID 51127734) is 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide is Cc1cc(C)c(S(N)(=O)=O)cc1C(=O)NCCN1CCC(C)CC1.
What is the InChIKey of 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide?
The InChIKey is LVEOEDHRCSJWQS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O3S/c1-12-4-7-20(8-5-12)9-6-19-17(21)15-11-16(24(18,22)23)14(3)10-13(15)2/h10-12H,4-9H2,1-3H3,(H,19,21)(H2,18,22,23).
What are the key properties of 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide?
2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide has a molecular weight of 353.49 g/mol, XLogP of 1.41, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-(4-methylpiperidin-1-yl)ethyl]-5-sulfamoylbenzamide is sourced from PubChem (CID 51127734), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).