2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide

C19H22N4O6S2 — CID 30822325

IUPAC2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCSCC(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O6S2/c1-29-15-7-5-14(6-8-15)23-31(27,28)16-4-2-3-13(11-16)19(26)22-21-18(25)9-10-30-12-17(20)24/h2-8,11,23H,9-10,12H2,1H3,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyLGGCBMNUXFJZQX-UHFFFAOYSA-N
MW466.54 g/mol
LogP0.87
Rot. Bonds10

About 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide

2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide (PubChem CID 30822325) has the molecular formula C19H22N4O6S2 and a molecular weight of 466.54 g/mol. Its IUPAC name is 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide.

Molecular Properties

Compound Name2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
PubChem CID30822325
Molecular FormulaC19H22N4O6S2
Molecular Weight466.54 g/mol
Exact Mass466.10
IUPAC Name2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide
SMILESCOc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCSCC(N)=O)c2)cc1
InChIInChI=1S/C19H22N4O6S2/c1-29-15-7-5-14(6-8-15)23-31(27,28)16-4-2-3-13(11-16)19(26)22-21-18(25)9-10-30-12-17(20)24/h2-8,11,23H,9-10,12H2,1H3,(H2,20,24)(H,21,25)(H,22,26)
InChIKeyLGGCBMNUXFJZQX-UHFFFAOYSA-N
XLogP0.87
TPSA156.69 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.54
LogP ≤ 50.87
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-methoxy-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 17421680
N-(4-methoxyphenyl)-3-[[3-(4-propan-2-ylphenyl)propanoylamino]carbamoyl]benzenesulfonamide
CID 46488488
3,5-dimethoxy-N-[2-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-2-oxoethyl]benzamide
CID 42910311
3-[[(3,5-difluorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46652429
N-(4-methoxyphenyl)-3-[[[4-(trifluoromethyl)benzoyl]amino]carbamoyl]benzenesulfonamide
CID 46652595
N-(4-methoxyphenyl)-3-[[(4-prop-2-enoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 30828589
1-(2-chloroethyl)-3-[[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]amino]urea
CID 2327322
N-(4-methoxyphenyl)-3-[(pyridine-2-carbonylamino)carbamoyl]benzenesulfonamide
CID 27662148
3-[[(2,3-dichlorobenzoyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 27678550
3-[[(2-chloropyridine-4-carbonyl)amino]carbamoyl]-N-(4-methoxyphenyl)benzenesulfonamide
CID 46638038
N-[(4-methoxyphenyl)methyl]-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 18158891
N-tert-butyl-3-[(4-methoxyphenyl)sulfamoyl]benzamide
CID 51210790

Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The IUPAC name of 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide (CID 30822325) is 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide.
What is the SMILES notation for 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The canonical SMILES for 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide is COc1ccc(NS(=O)(=O)c2cccc(C(=O)NNC(=O)CCSCC(N)=O)c2)cc1.
What is the InChIKey of 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
The InChIKey is LGGCBMNUXFJZQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O6S2/c1-29-15-7-5-14(6-8-15)23-31(27,28)16-4-2-3-13(11-16)19(26)22-21-18(25)9-10-30-12-17(20)24/h2-8,11,23H,9-10,12H2,1H3,(H2,20,24)(H,21,25)(H,22,26).
What are the key properties of 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide?
2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide has a molecular weight of 466.54 g/mol, XLogP of 0.87, 10 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[3-[(4-methoxyphenyl)sulfamoyl]benzoyl]hydrazinyl]-3-oxopropyl]sulfanylacetamide is sourced from PubChem (CID 30822325), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).