N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide

C16H19N3O3S — CID 39698057

IUPACN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-5-6-15(10-13(12)2)23(21,22)19-9-8-18-16(20)14-4-3-7-17-11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyDWGHNIFZHRKBNT-UHFFFAOYSA-N
MW333.41 g/mol
LogP1.41
Rot. Bonds6

About N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide

N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide (PubChem CID 39698057) has the molecular formula C16H19N3O3S and a molecular weight of 333.41 g/mol. Its IUPAC name is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
PubChem CID39698057
Molecular FormulaC16H19N3O3S
Molecular Weight333.41 g/mol
Exact Mass333.11
IUPAC NameN-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide
SMILESCc1ccc(S(=O)(=O)NCCNC(=O)c2cccnc2)cc1C
InChIInChI=1S/C16H19N3O3S/c1-12-5-6-15(10-13(12)2)23(21,22)19-9-8-18-16(20)14-4-3-7-17-11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20)
InChIKeyDWGHNIFZHRKBNT-UHFFFAOYSA-N
XLogP1.41
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.41
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

3-chloro-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]benzamide
CID 108571401
N-[2-[2-[(3,4-dimethylphenyl)sulfonylamino]ethylamino]-2-oxoethyl]benzamide
CID 108571279
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]-3,4-dimethylbenzenesulfonamide
CID 30170531
N-[2-[(2-methylbenzoyl)amino]ethyl]pyridine-3-carboxamide
CID 2985921
N-[2-[[4-(trifluoromethylsulfonyl)benzoyl]amino]ethyl]pyridine-3-carboxamide
CID 55690188
N-[2-(propan-2-ylamino)ethyl]pyridine-3-carboxamide
CID 4235481
N-[3-[(3-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2985562
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]cyclopropanecarboxamide
CID 33145197
potassium 3-(pyridine-3-carbonylamino)propane-1-sulfonate
CID 25072807
6-methyl-N-[2-(pyridine-3-carbonylamino)ethyl]pyridine-2-carboxamide
CID 39022305
N-[3-[(2-methylbenzoyl)amino]propyl]pyridine-3-carboxamide
CID 2992500
N-(2-methyl-4-sulfamoylphenyl)pyridine-3-carboxamide
CID 43246544

Frequently Asked Questions

What is the IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The IUPAC name of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide (CID 39698057) is N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide.
What is the SMILES notation for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The canonical SMILES for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide is Cc1ccc(S(=O)(=O)NCCNC(=O)c2cccnc2)cc1C.
What is the InChIKey of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
The InChIKey is DWGHNIFZHRKBNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O3S/c1-12-5-6-15(10-13(12)2)23(21,22)19-9-8-18-16(20)14-4-3-7-17-11-14/h3-7,10-11,19H,8-9H2,1-2H3,(H,18,20).
What are the key properties of N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide?
N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide has a molecular weight of 333.41 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]pyridine-3-carboxamide is sourced from PubChem (CID 39698057), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).