N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

C18H23N3O5S — CID 9468147

IUPACN-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-5-11(2)21-27(24,25)15-8-6-14(7-9-15)17(22)19-20-18(23)16-10-12(3)26-13(16)4/h6-11,21H,5H2,1-4H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyUQYRJJGBHCJPOH-LLVKDONJSA-N
MW393.47 g/mol
LogP2.05
Rot. Bonds6

About N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide

N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (PubChem CID 9468147) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
PubChem CID9468147
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC NameN-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide
SMILESCC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1
InChIInChI=1S/C18H23N3O5S/c1-5-11(2)21-27(24,25)15-8-6-14(7-9-15)17(22)19-20-18(23)16-10-12(3)26-13(16)4/h6-11,21H,5H2,1-4H3,(H,19,22)(H,20,23)/t11-/m1/s1
InChIKeyUQYRJJGBHCJPOH-LLVKDONJSA-N
XLogP2.05
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 52.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]-N,N-diethylbenzenesulfonamide
CID 26895521
N'-[4-(difluoromethylsulfonyl)benzoyl]-2,5-dimethylfuran-3-carbohydrazide
CID 8502793
4-(benzamidocarbamoyl)-N-butan-2-ylbenzenesulfonamide
CID 46651946
N-[(2R)-butan-2-yl]-4-[[(4-ethoxybenzoyl)amino]carbamoyl]benzenesulfonamide
CID 9492699
2,5-dimethyl-N'-[4-(methylsulfonylmethyl)benzoyl]furan-3-carbohydrazide
CID 9468106
N'-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980794
N'-(4-bromobenzoyl)-2,5-dimethylfuran-3-carbohydrazide
CID 2715709
N'-benzoyl-2,5-dimethylfuran-3-carbohydrazide
CID 4808565
2-[[4-(butan-2-ylsulfamoyl)benzoyl]amino]propanoic acid
CID 119224939
N'-(4-tert-butylphenyl)sulfonyl-2,5-dimethylfuran-3-carbohydrazide
CID 26980804
N-(4-acetylphenyl)sulfonyl-2,5-dimethylfuran-3-carboxamide
CID 86977698
[4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]phenyl]urea
CID 26028190

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide (CID 9468147) is N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is CC[C@@H](C)NS(=O)(=O)c1ccc(C(=O)NNC(=O)c2cc(C)oc2C)cc1.
What is the InChIKey of N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
The InChIKey is UQYRJJGBHCJPOH-LLVKDONJSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-5-11(2)21-27(24,25)15-8-6-14(7-9-15)17(22)19-20-18(23)16-10-12(3)26-13(16)4/h6-11,21H,5H2,1-4H3,(H,19,22)(H,20,23)/t11-/m1/s1.
What are the key properties of N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide?
N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide has a molecular weight of 393.47 g/mol, XLogP of 2.05, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-butan-2-yl]-4-[[(2,5-dimethylfuran-3-carbonyl)amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 9468147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).