N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

C17H21N3O3S2 — CID 4043210

IUPACN-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccnc2SC)c1
InChIInChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)14-9-6-8-13(12-14)19-16(21)15-10-7-11-18-17(15)24-3/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyKKANKBDZTZRXMN-UHFFFAOYSA-N
MW379.51 g/mol
LogP3.09
Rot. Bonds7

About N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide

N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (PubChem CID 4043210) has the molecular formula C17H21N3O3S2 and a molecular weight of 379.51 g/mol. Its IUPAC name is N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.

Molecular Properties

Compound NameN-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
PubChem CID4043210
Molecular FormulaC17H21N3O3S2
Molecular Weight379.51 g/mol
Exact Mass379.10
IUPAC NameN-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide
SMILESCCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccnc2SC)c1
InChIInChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)14-9-6-8-13(12-14)19-16(21)15-10-7-11-18-17(15)24-3/h6-12H,4-5H2,1-3H3,(H,19,21)
InChIKeyKKANKBDZTZRXMN-UHFFFAOYSA-N
XLogP3.09
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.51
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[methyl(phenyl)sulfamoyl]phenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 4290143
N-[3-(diethylsulfamoyl)phenyl]naphthalene-1-carboxamide
CID 26252213
N-(3-bromophenyl)-2-methylsulfanylpyridine-3-carboxamide
CID 926519
2-[3-[(2-methylsulfanylpyridine-3-carbonyl)amino]phenyl]acetic acid
CID 65346541
N-[3-(diethylsulfamoyl)phenyl]-2,4-difluorobenzamide
CID 7760043
2-methylsulfanyl-N-(3-nitrophenyl)pyridine-3-carboxamide
CID 926631
2-(difluoromethylsulfanyl)-N-(3-methylsulfonylphenyl)pyridine-3-carboxamide
CID 134013198
N-[3-(diethylsulfamoyl)phenyl]-3-fluorobenzamide
CID 4800184
N-[3-(diethylsulfamoyl)phenyl]-5-methylpyrazine-2-carboxamide
CID 8933526
N-[3-(diethylsulfamoyl)phenyl]-2-(difluoromethoxy)benzamide
CID 8883724
N-[5-(dimethylsulfamoyl)-2-methylphenyl]-2-methylsulfanylpyridine-3-carboxamide
CID 3985764
4-acetamido-N-[3-(diethylsulfamoyl)phenyl]benzamide
CID 7760016

Frequently Asked Questions

What is the IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The IUPAC name of N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide (CID 4043210) is N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide.
What is the SMILES notation for N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The canonical SMILES for N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is CCN(CC)S(=O)(=O)c1cccc(NC(=O)c2cccnc2SC)c1.
What is the InChIKey of N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
The InChIKey is KKANKBDZTZRXMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O3S2/c1-4-20(5-2)25(22,23)14-9-6-8-13(12-14)19-16(21)15-10-7-11-18-17(15)24-3/h6-12H,4-5H2,1-3H3,(H,19,21).
What are the key properties of N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide?
N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide has a molecular weight of 379.51 g/mol, XLogP of 3.09, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(diethylsulfamoyl)phenyl]-2-methylsulfanylpyridine-3-carboxamide is sourced from PubChem (CID 4043210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).