N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide

C16H18N4O5S — CID 9077663

IUPACN,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C16H18N4O5S/c1-19(2)26(24,25)13-8-6-12(7-9-13)16(23)18-17-14(21)11-20-10-4-3-5-15(20)22/h3-10H,11H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyBSMOXHYATAJCHN-UHFFFAOYSA-N
MW378.41 g/mol
LogP-0.44
Rot. Bonds5

About N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide

N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 9077663) has the molecular formula C16H18N4O5S and a molecular weight of 378.41 g/mol. Its IUPAC name is N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID9077663
Molecular FormulaC16H18N4O5S
Molecular Weight378.41 g/mol
Exact Mass378.10
IUPAC NameN,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccccc2=O)cc1
InChIInChI=1S/C16H18N4O5S/c1-19(2)26(24,25)13-8-6-12(7-9-13)16(23)18-17-14(21)11-20-10-4-3-5-15(20)22/h3-10H,11H2,1-2H3,(H,17,21)(H,18,23)
InChIKeyBSMOXHYATAJCHN-UHFFFAOYSA-N
XLogP-0.44
TPSA117.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.41
LogP ≤ 5-0.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 51176255
4-ethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 78791798
N'-[2-(2-oxo-1-pyridinyl)acetyl]-4-phenylbenzohydrazide
CID 9077512
4-(benzamidocarbamoyl)-N,N-dimethylbenzenesulfonamide
CID 3304166
4-(1,3-dithian-2-yl)-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9078340
5-bromo-N'-[2-(2-oxo-1-pyridinyl)acetyl]pyridine-3-carbohydrazide
CID 9077503
4-(dimethylsulfamoyl)-N-(2-pyrrol-1-ylethyl)benzamide
CID 110716261
4-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9078380
2,5-dimethyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]benzohydrazide
CID 9077511
N,N-dimethyl-4-[(N-phenylanilino)carbamoyl]benzenesulfonamide
CID 7760850
3-methyl-N'-[2-(2-oxo-1-pyridinyl)acetyl]-1-benzofuran-2-carbohydrazide
CID 51177211
4-(dimethylsulfamoyl)-N-(1-phenylethyl)benzamide
CID 2914743

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide (CID 9077663) is N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide is CN(C)S(=O)(=O)c1ccc(C(=O)NNC(=O)Cn2ccccc2=O)cc1.
What is the InChIKey of N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is BSMOXHYATAJCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O5S/c1-19(2)26(24,25)13-8-6-12(7-9-13)16(23)18-17-14(21)11-20-10-4-3-5-15(20)22/h3-10H,11H2,1-2H3,(H,17,21)(H,18,23).
What are the key properties of N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide?
N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 378.41 g/mol, XLogP of -0.44, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[[2-(2-oxo-1-pyridinyl)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9077663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).