N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide

C18H23N3O4S — CID 86840883

IUPACN-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C18H23N3O4S/c1-18(2,3)20-26(24,25)15-9-5-4-8-14(15)19-16(22)11-13-21-12-7-6-10-17(21)23/h4-10,12,20H,11,13H2,1-3H3,(H,19,22)
InChIKeyYGINMSWCEGTDHW-UHFFFAOYSA-N
MW377.47 g/mol
LogP1.95
Rot. Bonds6

About N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide

N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide (PubChem CID 86840883) has the molecular formula C18H23N3O4S and a molecular weight of 377.47 g/mol. Its IUPAC name is N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide.

Molecular Properties

Compound NameN-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
PubChem CID86840883
Molecular FormulaC18H23N3O4S
Molecular Weight377.47 g/mol
Exact Mass377.14
IUPAC NameN-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
SMILESCC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CCn1ccccc1=O
InChIInChI=1S/C18H23N3O4S/c1-18(2,3)20-26(24,25)15-9-5-4-8-14(15)19-16(22)11-13-21-12-7-6-10-17(21)23/h4-10,12,20H,11,13H2,1-3H3,(H,19,22)
InChIKeyYGINMSWCEGTDHW-UHFFFAOYSA-N
XLogP1.95
TPSA97.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.47
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[[2-(tert-butylsulfamoyl)phenyl]methyl]-2-(2-oxo-1-pyridinyl)acetamide
CID 48583634
N-[2-(tert-butylsulfamoyl)phenyl]-2-cyanoacetamide
CID 168521035
N-(4-acetamidophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979387
N-[2-(ethoxymethyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide
CID 86821879
N-(5-fluoro-2-methylphenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 86979424
N-(1-hydroxy-4,4-dimethylpentan-3-yl)-3-(2-oxo-1-pyridinyl)propanamide
CID 103941143
3-(2-oxo-1-pyridinyl)propanehydrazide
CID 43346089
2,2,3-trimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]butanoic acid
CID 65266103
methyl N-[4-[3-(2-oxo-1-pyridinyl)propanoylamino]phenyl]carbamate
CID 87006402
2,2-dimethyl-3-[3-(2-oxo-1-pyridinyl)propanoylamino]propanamide
CID 86996735
N-(2-amino-4-fluorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16788694
N-(2-amino-5-chlorophenyl)-3-(2-oxo-1-pyridinyl)propanamide
CID 16786560

Frequently Asked Questions

What is the IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide?
The IUPAC name of N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide (CID 86840883) is N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide.
What is the SMILES notation for N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide?
The canonical SMILES for N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide is CC(C)(C)NS(=O)(=O)c1ccccc1NC(=O)CCn1ccccc1=O.
What is the InChIKey of N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide?
The InChIKey is YGINMSWCEGTDHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23N3O4S/c1-18(2,3)20-26(24,25)15-9-5-4-8-14(15)19-16(22)11-13-21-12-7-6-10-17(21)23/h4-10,12,20H,11,13H2,1-3H3,(H,19,22).
What are the key properties of N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide?
N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide has a molecular weight of 377.47 g/mol, XLogP of 1.95, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(tert-butylsulfamoyl)phenyl]-3-(2-oxo-1-pyridinyl)propanamide is sourced from PubChem (CID 86840883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).