N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide

C18H19N3O3S — CID 134008758

IUPACN-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-11-20-25(23,24)17-9-6-7-15(14-17)18(22)21(2)13-10-16-8-4-5-12-19-16/h1,4-9,12,14,20H,10-11,13H2,2H3
InChIKeyDQGSFLKZMHLHEP-UHFFFAOYSA-N
MW357.44 g/mol
LogP1.31
Rot. Bonds7

About N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide

N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide (PubChem CID 134008758) has the molecular formula C18H19N3O3S and a molecular weight of 357.44 g/mol. Its IUPAC name is N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide.

Molecular Properties

Compound NameN-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
PubChem CID134008758
Molecular FormulaC18H19N3O3S
Molecular Weight357.44 g/mol
Exact Mass357.11
IUPAC NameN-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide
SMILESC#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2ccccn2)c1
InChIInChI=1S/C18H19N3O3S/c1-3-11-20-25(23,24)17-9-6-7-15(14-17)18(22)21(2)13-10-16-8-4-5-12-19-16/h1,4-9,12,14,20H,10-11,13H2,2H3
InChIKeyDQGSFLKZMHLHEP-UHFFFAOYSA-N
XLogP1.31
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Related Compounds

3-(ethylsulfamoyl)-N-methyl-N-(pyridin-2-ylmethyl)benzamide
CID 55980508
N-benzyl-N-methyl-3-(pyridin-2-ylmethylsulfamoyl)benzamide
CID 109064675
N-[2-(4-fluorophenoxy)ethyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 27034051
N-methyl-N-(2-pyridin-2-ylethyl)-3-sulfanylbenzamide
CID 107021824
3-iodo-N-methyl-N-(2-pyridin-2-ylethyl)benzamide
CID 60653685
N,N-dipropyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 38550193
5-(ethylsulfamoyl)-N,2-dimethyl-N-(2-pyridin-2-ylethyl)benzamide
CID 134008752
N-[(4-fluorophenyl)methyl]-N-methyl-3-(prop-2-ynylsulfamoyl)benzamide
CID 51270481
N-methyl-N-(1-phenylethyl)-3-(prop-2-ynylsulfamoyl)benzamide
CID 134041612
N-methyl-N-[(5-methylfuran-2-yl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551118
N-methyl-N-[(4-prop-2-enoxyphenyl)methyl]-3-(prop-2-ynylsulfamoyl)benzamide
CID 38551386
2-cyano-N-methyl-N-(2-pyridin-2-ylethyl)pyridine-4-carboxamide
CID 115115934

Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The IUPAC name of N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide (CID 134008758) is N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide.
What is the SMILES notation for N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The canonical SMILES for N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide is C#CCNS(=O)(=O)c1cccc(C(=O)N(C)CCc2ccccn2)c1.
What is the InChIKey of N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
The InChIKey is DQGSFLKZMHLHEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S/c1-3-11-20-25(23,24)17-9-6-7-15(14-17)18(22)21(2)13-10-16-8-4-5-12-19-16/h1,4-9,12,14,20H,10-11,13H2,2H3.
What are the key properties of N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide?
N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide has a molecular weight of 357.44 g/mol, XLogP of 1.31, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(prop-2-ynylsulfamoyl)-N-(2-pyridin-2-ylethyl)benzamide is sourced from PubChem (CID 134008758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).