N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide

C20H19N5O5S — CID 39901705

IUPACN-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(Cn1cccnc1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H19N5O5S/c26-18(14-25-11-5-10-21-20(25)28)23-24-19(27)16-8-4-9-17(12-16)31(29,30)22-13-15-6-2-1-3-7-15/h1-12,22H,13-14H2,(H,23,26)(H,24,27)
InChIKeyUGFPZYPZCFYFJI-UHFFFAOYSA-N
MW441.47 g/mol
LogP0.18
Rot. Bonds7

About N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide

N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 39901705) has the molecular formula C20H19N5O5S and a molecular weight of 441.47 g/mol. Its IUPAC name is N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID39901705
Molecular FormulaC20H19N5O5S
Molecular Weight441.47 g/mol
Exact Mass441.11
IUPAC NameN-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESO=C(Cn1cccnc1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1
InChIInChI=1S/C20H19N5O5S/c26-18(14-25-11-5-10-21-20(25)28)23-24-19(27)16-8-4-9-17(12-16)31(29,30)22-13-15-6-2-1-3-7-15/h1-12,22H,13-14H2,(H,23,26)(H,24,27)
InChIKeyUGFPZYPZCFYFJI-UHFFFAOYSA-N
XLogP0.18
TPSA139.26 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.47
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

3-[[[2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]acetyl]amino]carbamoyl]-N-benzylbenzenesulfonamide
CID 51510456
N-[2-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-2-oxoethyl]-4-fluorobenzamide
CID 27690298
N-benzyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 27690215
N-benzyl-3-[[(3-phenyl-1H-pyrazole-5-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 24502761
N-benzyl-3-(hydrazinecarbonyl)benzenesulfonamide
CID 2442245
N-benzyl-3-[[[2-(2,3-dihydro-1H-inden-5-yloxy)acetyl]amino]carbamoyl]benzenesulfonamide
CID 4790967
3-(benzylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 17424041
N-benzyl-3-[[(3-methoxy-4-methylbenzoyl)amino]carbamoyl]benzenesulfonamide
CID 26587155
3-(benzylsulfamoyl)-N-(4-methyl-2-pyridinyl)benzamide
CID 18106959
3-(benzylsulfamoyl)-N-[4-(2-oxo-1-pyridinyl)butyl]benzamide
CID 60598425
N-[2-(1-benzylimidazol-2-yl)ethyl]-3-(benzylsulfamoyl)benzamide
CID 134027622
N-[3-[2-[3-(benzylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]furan-2-carboxamide
CID 26826496

Frequently Asked Questions

What is the IUPAC name of N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide (CID 39901705) is N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide is O=C(Cn1cccnc1=O)NNC(=O)c1cccc(S(=O)(=O)NCc2ccccc2)c1.
What is the InChIKey of N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is UGFPZYPZCFYFJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N5O5S/c26-18(14-25-11-5-10-21-20(25)28)23-24-19(27)16-8-4-9-17(12-16)31(29,30)22-13-15-6-2-1-3-7-15/h1-12,22H,13-14H2,(H,23,26)(H,24,27).
What are the key properties of N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 441.47 g/mol, XLogP of 0.18, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-3-[[[2-(2-oxopyrimidin-1-yl)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 39901705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).