3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

C19H19N3O5S2 — CID 35000765

IUPAC3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c(C)o1
InChIInChI=1S/C19H19N3O5S2/c1-12-9-17(13(2)27-12)19(24)22-21-18(23)14-5-3-7-16(10-14)29(25,26)20-11-15-6-4-8-28-15/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBWXIXBCHQHVCBU-UHFFFAOYSA-N
MW433.51 g/mol
LogP2.51
Rot. Bonds6

About 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide

3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (PubChem CID 35000765) has the molecular formula C19H19N3O5S2 and a molecular weight of 433.51 g/mol. Its IUPAC name is 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.

Molecular Properties

Compound Name3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
PubChem CID35000765
Molecular FormulaC19H19N3O5S2
Molecular Weight433.51 g/mol
Exact Mass433.08
IUPAC Name3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
SMILESCc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c(C)o1
InChIInChI=1S/C19H19N3O5S2/c1-12-9-17(13(2)27-12)19(24)22-21-18(23)14-5-3-7-16(10-14)29(25,26)20-11-15-6-4-8-28-15/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24)
InChIKeyBWXIXBCHQHVCBU-UHFFFAOYSA-N
XLogP2.51
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.51
LogP ≤ 52.51
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

3-[[(4-ethoxybenzoyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 27621480
3-[(pyridine-3-carbonylamino)carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 35017463
N-[2-(methylamino)ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide;hydrochloride
CID 119499971
N-[(2-methylphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9429337
N-[2-[di(propan-2-yl)amino]ethyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 30480977
N-(5-methyl-2-pyridinyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 35026773
N-ethyl-N-methyl-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 134063264
N-(3-fluoro-4-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 9427533
N-(4-chloro-2-methylphenyl)-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 26717987
N-[(4-propoxyphenyl)methyl]-3-(thiophen-2-ylmethylsulfamoyl)benzamide
CID 60518879
3-[[(5-methyl-4,5,6,7-tetrahydro-1-benzothiophene-2-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide
CID 46656932
2,5-dimethyl-N'-(3-pyrrolidin-1-ylsulfonylbenzoyl)furan-3-carbohydrazide
CID 4782675

Frequently Asked Questions

What is the IUPAC name of 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The IUPAC name of 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide (CID 35000765) is 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide.
What is the SMILES notation for 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The canonical SMILES for 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is Cc1cc(C(=O)NNC(=O)c2cccc(S(=O)(=O)NCc3cccs3)c2)c(C)o1.
What is the InChIKey of 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
The InChIKey is BWXIXBCHQHVCBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O5S2/c1-12-9-17(13(2)27-12)19(24)22-21-18(23)14-5-3-7-16(10-14)29(25,26)20-11-15-6-4-8-28-15/h3-10,20H,11H2,1-2H3,(H,21,23)(H,22,24).
What are the key properties of 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide?
3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide has a molecular weight of 433.51 g/mol, XLogP of 2.51, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N-(thiophen-2-ylmethyl)benzenesulfonamide is sourced from PubChem (CID 35000765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).