N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide

C16H18N4O4S — CID 108540814

IUPACN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O4S/c1-25(23,24)20-13-7-5-12(6-8-13)15(21)18-10-11-19-16(22)14-4-2-3-9-17-14/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyJHPBKEDZCIONIK-UHFFFAOYSA-N
MW362.41 g/mol
LogP0.61
Rot. Bonds7

About N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide

N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide (PubChem CID 108540814) has the molecular formula C16H18N4O4S and a molecular weight of 362.41 g/mol. Its IUPAC name is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
PubChem CID108540814
Molecular FormulaC16H18N4O4S
Molecular Weight362.41 g/mol
Exact Mass362.10
IUPAC NameN-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide
SMILESCS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccn2)cc1
InChIInChI=1S/C16H18N4O4S/c1-25(23,24)20-13-7-5-12(6-8-13)15(21)18-10-11-19-16(22)14-4-2-3-9-17-14/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22)
InChIKeyJHPBKEDZCIONIK-UHFFFAOYSA-N
XLogP0.61
TPSA117.26 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.41
LogP ≤ 50.61
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[4-(methylsulfonylcarbamoyl)phenyl]pyridine-2-carboxamide
CID 146154862
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]-5-methyl-1,2-oxazole-3-carboxamide
CID 108572189
4-(methanesulfonamido)-N-pyridin-2-ylbenzamide
CID 42113789
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]naphthalene-1-carboxamide
CID 108540776
N-methylsulfonylpyridine-2-carboxamide
CID 14952705
4-(methanesulfonamido)-N-[2-(3-phenoxypropanoylamino)ethyl]benzamide
CID 108540785
4-(methanesulfonamido)-N-[2-(4-phenoxybutanoylamino)ethyl]benzamide
CID 108540772
N-[2-(4-chlorophenyl)ethyl]-4-(methanesulfonamido)benzamide
CID 42064223
N-[2-(4-methylsulfonylphenyl)ethyl]pyridine-2-carboxamide
CID 110795964
4-(methanesulfonamido)-N-[2-(2-methoxyphenyl)ethyl]benzamide
CID 41477402
N-[6-(pyridine-2-carbonylamino)hexyl]pyridine-2-carboxamide;hydrochloride
CID 54601367
N-(2-bromoethyl)pyridine-2-carboxamide
CID 12983473

Frequently Asked Questions

What is the IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The IUPAC name of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide (CID 108540814) is N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide.
What is the SMILES notation for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The canonical SMILES for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide is CS(=O)(=O)Nc1ccc(C(=O)NCCNC(=O)c2ccccn2)cc1.
What is the InChIKey of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide?
The InChIKey is JHPBKEDZCIONIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O4S/c1-25(23,24)20-13-7-5-12(6-8-13)15(21)18-10-11-19-16(22)14-4-2-3-9-17-14/h2-9,20H,10-11H2,1H3,(H,18,21)(H,19,22).
What are the key properties of N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide?
N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide has a molecular weight of 362.41 g/mol, XLogP of 0.61, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[4-(methanesulfonamido)benzoyl]amino]ethyl]pyridine-2-carboxamide is sourced from PubChem (CID 108540814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).