4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide

C15H18N4O7S — CID 18753506

IUPAC4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
SMILESCOc1ccc(S(=O)(=O)NC(CCn2c(=O)cc[nH]c2=O)C(=O)NO)cc1
InChIInChI=1S/C15H18N4O7S/c1-26-10-2-4-11(5-3-10)27(24,25)18-12(14(21)17-23)7-9-19-13(20)6-8-16-15(19)22/h2-6,8,12,18,23H,7,9H2,1H3,(H,16,22)(H,17,21)
InChIKeyNWUPQIGFGDKERU-UHFFFAOYSA-N
MW398.40 g/mol
LogP-1.21
Rot. Bonds8

About 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide

4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide (PubChem CID 18753506) has the molecular formula C15H18N4O7S and a molecular weight of 398.40 g/mol. Its IUPAC name is 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound Name4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
PubChem CID18753506
Molecular FormulaC15H18N4O7S
Molecular Weight398.40 g/mol
Exact Mass398.09
IUPAC Name4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
SMILESCOc1ccc(S(=O)(=O)NC(CCn2c(=O)cc[nH]c2=O)C(=O)NO)cc1
InChIInChI=1S/C15H18N4O7S/c1-26-10-2-4-11(5-3-10)27(24,25)18-12(14(21)17-23)7-9-19-13(20)6-8-16-15(19)22/h2-6,8,12,18,23H,7,9H2,1H3,(H,16,22)(H,17,21)
InChIKeyNWUPQIGFGDKERU-UHFFFAOYSA-N
XLogP-1.21
TPSA159.59 Ų
H-Bond Donors4
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.40
LogP ≤ 5-1.21
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

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Related Compounds

(2R)-6-amino-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]hexanamide
CID 20646766
4-(2,4-dioxo-1H-pyrimidin-3-yl)-2-[hydroxy-(4-methoxyphenyl)sulfonylamino]butanamide
CID 90849821
methyl 3-amino-2-[(4-methoxyphenyl)sulfonylamino]propanoate
CID 57153558
(2R)-2-[(4-methoxyphenyl)sulfonylamino]butanoic acid
CID 773559
N-[4-[[(2R)-1-(hydroxyamino)-1-oxo-5-(1,1,3-trioxo-1,2-benzothiazol-2-yl)pentan-2-yl]sulfamoyl]phenyl]-4-methoxybenzamide
CID 54310983
(2R,3S)-N,3-dihydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide
CID 50907085
methyl 2-[(4-methoxyphenyl)sulfonylamino]-5-sulfanylpentanoate
CID 57142661
3-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]-N-(1,2,4-triazol-4-yl)propanamide
CID 4190087
methyl 2-[(4-methoxyphenyl)sulfonylamino]-4-morpholin-4-ylbutanoate
CID 22907030
(2R)-4-fluoro-2-[(4-methoxyphenyl)sulfonylamino]pent-4-enoic acid
CID 89120204
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-4-methylsulfanylbutanoate
CID 2404775
N-[(2S)-1-(azepan-1-yl)-3-hydroxy-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
CID 6724353

Frequently Asked Questions

What is the IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The IUPAC name of 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide (CID 18753506) is 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide.
What is the SMILES notation for 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The canonical SMILES for 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide is COc1ccc(S(=O)(=O)NC(CCn2c(=O)cc[nH]c2=O)C(=O)NO)cc1.
What is the InChIKey of 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
The InChIKey is NWUPQIGFGDKERU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O7S/c1-26-10-2-4-11(5-3-10)27(24,25)18-12(14(21)17-23)7-9-19-13(20)6-8-16-15(19)22/h2-6,8,12,18,23H,7,9H2,1H3,(H,16,22)(H,17,21).
What are the key properties of 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide?
4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide has a molecular weight of 398.40 g/mol, XLogP of -1.21, 8 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-dioxo-1H-pyrimidin-3-yl)-N-hydroxy-2-[(4-methoxyphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 18753506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).