2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

C19H18N4O4S — CID 136782146

IUPAC2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-6-8-16(9-7-13)28(26,27)21-12-18(24)23-20-11-15-10-14-4-2-3-5-17(14)22-19(15)25/h2-11,21H,12H2,1H3,(H,22,25)(H,23,24)/b20-11-
InChIKeyNKJDAWBHBSWZSG-JAIQZWGSSA-N
MW398.44 g/mol
LogP1.27
Rot. Bonds6

About 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide

2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (PubChem CID 136782146) has the molecular formula C19H18N4O4S and a molecular weight of 398.44 g/mol. Its IUPAC name is 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.

Molecular Properties

Compound Name2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
PubChem CID136782146
Molecular FormulaC19H18N4O4S
Molecular Weight398.44 g/mol
Exact Mass398.10
IUPAC Name2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
SMILESCc1ccc(S(=O)(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1
InChIInChI=1S/C19H18N4O4S/c1-13-6-8-16(9-7-13)28(26,27)21-12-18(24)23-20-11-15-10-14-4-2-3-5-17(14)22-19(15)25/h2-11,21H,12H2,1H3,(H,22,25)(H,23,24)/b20-11-
InChIKeyNKJDAWBHBSWZSG-JAIQZWGSSA-N
XLogP1.27
TPSA120.49 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.44
LogP ≤ 51.27
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-[(4-chlorophenyl)sulfonylamino]-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 4058223
4-methyl-N-[2-oxo-2-[(2Z)-2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 136911857
N-[(E)-(2-oxo-1H-quinolin-3-yl)methylideneamino]tetradecanamide
CID 136503680
2-(1,3-dihydroisoindol-2-yl)-N-[(Z)-(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 137085097
N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]naphthalene-1-carboxamide
CID 5164609
4-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3586346
[(6-methyl-2-oxo-1H-quinolin-3-yl)methylideneamino]urea
CID 141311097
3-chloro-N-[2-oxo-2-[2-[(2-oxo-1H-quinolin-3-yl)methylidene]hydrazinyl]ethyl]benzamide
CID 3548423
2-(3,4-dimethylphenoxy)-N-[(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide
CID 932384
[4-bromo-2-[[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] 2-methylbenzoate
CID 3636884
N-[(E)-1H-indol-3-ylmethylideneamino]-3-[(4-methylphenyl)sulfonylamino]propanamide
CID 136664551
[4-[(Z)-[[2-[(4-methylphenyl)sulfonylamino]acetyl]hydrazinylidene]methyl]phenyl] naphthalene-1-carboxylate
CID 6030741

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The IUPAC name of 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide (CID 136782146) is 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide.
What is the SMILES notation for 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The canonical SMILES for 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is Cc1ccc(S(=O)(=O)NCC(=O)N/N=C\c2cc3ccccc3[nH]c2=O)cc1.
What is the InChIKey of 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
The InChIKey is NKJDAWBHBSWZSG-JAIQZWGSSA-N. The full InChI is InChI=1S/C19H18N4O4S/c1-13-6-8-16(9-7-13)28(26,27)21-12-18(24)23-20-11-15-10-14-4-2-3-5-17(14)22-19(15)25/h2-11,21H,12H2,1H3,(H,22,25)(H,23,24)/b20-11-.
What are the key properties of 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide?
2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide has a molecular weight of 398.44 g/mol, XLogP of 1.27, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methylphenyl)sulfonylamino]-N-[(Z)-(2-oxo-1H-quinolin-3-yl)methylideneamino]acetamide is sourced from PubChem (CID 136782146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).