4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

C19H17N5O5S — CID 177371324

IUPAC4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C19H17N5O5S/c1-12-3-2-4-13(9-12)10-21-23-17(25)14-5-7-15(8-6-14)24-30(28,29)16-11-20-19(27)22-18(16)26/h2-11,24H,1H3,(H,23,25)(H2,20,22,26,27)/b21-10+
InChIKeyUCBOOSDSPFZLPY-UFFVCSGVSA-N
MW427.44 g/mol
LogP0.94
Rot. Bonds6

About 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide

4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (PubChem CID 177371324) has the molecular formula C19H17N5O5S and a molecular weight of 427.44 g/mol. Its IUPAC name is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.

Molecular Properties

Compound Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
PubChem CID177371324
Molecular FormulaC19H17N5O5S
Molecular Weight427.44 g/mol
Exact Mass427.10
IUPAC Name4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
SMILESCc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2)c1
InChIInChI=1S/C19H17N5O5S/c1-12-3-2-4-13(9-12)10-21-23-17(25)14-5-7-15(8-6-14)24-30(28,29)16-11-20-19(27)22-18(16)26/h2-11,24H,1H3,(H,23,25)(H2,20,22,26,27)/b21-10+
InChIKeyUCBOOSDSPFZLPY-UFFVCSGVSA-N
XLogP0.94
TPSA153.35 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.44
LogP ≤ 50.94
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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

N-[(E)-(3-bromophenyl)methylideneamino]-4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371333
N-[(E)-(2-chlorophenyl)methylideneamino]-3-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]benzamide
CID 177371316
N-(4-methylphenyl)-2,4-dioxo-1H-pyrimidine-5-sulfonamide
CID 7161234
4-bromo-N-[(E)-(3-methylphenyl)methylideneamino]benzamide
CID 5332246
4-bromo-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407444
N-[(3-hydroxyphenyl)methylideneamino]-4-[(4-methylphenyl)sulfonylamino]benzamide
CID 4141300
3-methyl-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5394581
4-methoxy-N-[(3-methylphenyl)methylideneamino]benzamide
CID 913508
N-[(E)-(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 6880126
N-[(3-methylphenyl)methylideneamino]pyridine-4-carboxamide
CID 690990
3,5-dihydroxy-N-[(Z)-(3-methylphenyl)methylideneamino]benzamide
CID 5407507
N-[(E)-(3-chlorophenyl)methylideneamino]-4-[(4-chlorophenyl)sulfonylamino]benzamide
CID 51060542

Frequently Asked Questions

What is the IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The IUPAC name of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide (CID 177371324) is 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide.
What is the SMILES notation for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The canonical SMILES for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is Cc1cccc(/C=N/NC(=O)c2ccc(NS(=O)(=O)c3c[nH]c(=O)[nH]c3=O)cc2)c1.
What is the InChIKey of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
The InChIKey is UCBOOSDSPFZLPY-UFFVCSGVSA-N. The full InChI is InChI=1S/C19H17N5O5S/c1-12-3-2-4-13(9-12)10-21-23-17(25)14-5-7-15(8-6-14)24-30(28,29)16-11-20-19(27)22-18(16)26/h2-11,24H,1H3,(H,23,25)(H2,20,22,26,27)/b21-10+.
What are the key properties of 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide?
4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide has a molecular weight of 427.44 g/mol, XLogP of 0.94, 6 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2,4-dioxo-1H-pyrimidin-5-yl)sulfonylamino]-N-[(E)-(3-methylphenyl)methylideneamino]benzamide is sourced from PubChem (CID 177371324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).