N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

C17H15N3O5S2 — CID 4788612

IUPACN-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H15N3O5S2/c21-16(19-20-17(22)15-4-2-10-26-15)12-5-7-14(8-6-12)27(23,24)18-11-13-3-1-9-25-13/h1-10,18H,11H2,(H,19,21)(H,20,22)
InChIKeyZICXKPYPEJNVNQ-UHFFFAOYSA-N
MW405.46 g/mol
LogP1.89
Rot. Bonds6

About N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide

N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (PubChem CID 4788612) has the molecular formula C17H15N3O5S2 and a molecular weight of 405.46 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
PubChem CID4788612
Molecular FormulaC17H15N3O5S2
Molecular Weight405.46 g/mol
Exact Mass405.05
IUPAC NameN-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide
SMILESO=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1
InChIInChI=1S/C17H15N3O5S2/c21-16(19-20-17(22)15-4-2-10-26-15)12-5-7-14(8-6-12)27(23,24)18-11-13-3-1-9-25-13/h1-10,18H,11H2,(H,19,21)(H,20,22)
InChIKeyZICXKPYPEJNVNQ-UHFFFAOYSA-N
XLogP1.89
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.46
LogP ≤ 51.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[[4-(furan-2-ylmethylsulfamoyl)phenyl]carbamothioyl]thiophene-2-carboxamide
CID 17171029
N-(furan-2-ylmethyl)-4-[1-[2-(4-hydroxybenzoyl)hydrazinyl]ethenyl]benzenesulfonamide
CID 2124044
N-(furan-2-ylmethyl)-4-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]benzenesulfonamide
CID 46656836
N-(1-adamantyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 24539659
N-(4-chlorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 2687824
N-(3-ethylpent-1-yn-3-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 18271449
3-(benzamidocarbamoyl)-N-(furan-2-ylmethyl)-4-methylbenzenesulfonamide
CID 43002494
N'-[3-(furan-2-yl)propanoyl]thiophene-2-carbohydrazide
CID 47123763
2-[[4-(furan-2-ylmethylsulfamoyl)benzoyl]amino]butanoic acid
CID 119223860
N-(4,5-dihydro-1,3-thiazol-2-yl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 7534970
benzyl 4-(furan-2-ylmethylsulfamoyl)benzoate
CID 7765854
N-(3,4-difluorophenyl)-4-(furan-2-ylmethylsulfamoyl)benzamide
CID 9165761

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The IUPAC name of N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide (CID 4788612) is N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The canonical SMILES for N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is O=C(NNC(=O)c1cccs1)c1ccc(S(=O)(=O)NCc2ccco2)cc1.
What is the InChIKey of N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
The InChIKey is ZICXKPYPEJNVNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3O5S2/c21-16(19-20-17(22)15-4-2-10-26-15)12-5-7-14(8-6-12)27(23,24)18-11-13-3-1-9-25-13/h1-10,18H,11H2,(H,19,21)(H,20,22).
What are the key properties of N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide?
N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide has a molecular weight of 405.46 g/mol, XLogP of 1.89, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-4-[(thiophene-2-carbonylamino)carbamoyl]benzenesulfonamide is sourced from PubChem (CID 4788612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).