5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide

C23H25N3O5S — CID 2107998

IUPAC5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H25N3O5S/c1-15-7-10-17(23(2,3)4)14-20(15)32(29,30)26-18-11-8-16(9-12-18)21(27)24-25-22(28)19-6-5-13-31-19/h5-14,26H,1-4H3,(H,24,27)(H,25,28)
InChIKeyQPMUQDZTKSAGIA-UHFFFAOYSA-N
MW455.54 g/mol
LogP3.76
Rot. Bonds5

About 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide

5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide (PubChem CID 2107998) has the molecular formula C23H25N3O5S and a molecular weight of 455.54 g/mol. Its IUPAC name is 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide.

Molecular Properties

Compound Name5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
PubChem CID2107998
Molecular FormulaC23H25N3O5S
Molecular Weight455.54 g/mol
Exact Mass455.15
IUPAC Name5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide
SMILESCc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1
InChIInChI=1S/C23H25N3O5S/c1-15-7-10-17(23(2,3)4)14-20(15)32(29,30)26-18-11-8-16(9-12-18)21(27)24-25-22(28)19-6-5-13-31-19/h5-14,26H,1-4H3,(H,24,27)(H,25,28)
InChIKeyQPMUQDZTKSAGIA-UHFFFAOYSA-N
XLogP3.76
TPSA117.51 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.54
LogP ≤ 53.76
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

5-tert-butyl-2-methyl-N-[4-[(3-methylbutanoylamino)carbamoyl]phenyl]benzenesulfonamide
CID 46657389
3-[(furan-2-carbonylamino)sulfamoyl]-4-methylbenzoic acid
CID 24502103
N-[4-[[4-methyl-3-(methylsulfamoyl)phenyl]carbamoyl]phenyl]furan-2-carboxamide
CID 9479404
N-[4-[[[2-(3-bromophenoxy)acetyl]amino]carbamoyl]phenyl]-5-tert-butyl-2-methylbenzenesulfonamide
CID 4844443
methyl 3-[[3-(furan-2-carbonylamino)phenyl]sulfamoyl]-4-methylbenzoate
CID 25335107
N-[2-[3-[(4-chlorophenyl)sulfamoyl]-4-methylanilino]-2-oxoethyl]furan-2-carboxamide
CID 30474795
N-[4-[[(4-chlorobenzoyl)amino]carbamoyl]phenyl]-2,5-dimethylbenzenesulfonamide
CID 24538035
1-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-3-(oxolan-2-ylmethyl)thiourea
CID 4676675
N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]acetamide
CID 6736260
5-tert-butyl-2-methyl-N-[3-[(pyridine-3-carbonylamino)carbamoyl]phenyl]benzenesulfonamide
CID 37119295
3-[[4-[(5-tert-butyl-2-methylphenyl)sulfonylamino]benzoyl]amino]-N,N-dimethylbenzamide
CID 46520009
N'-[4-(trifluoromethyl)benzoyl]furan-2-carbohydrazide
CID 4826998

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide?
The IUPAC name of 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide (CID 2107998) is 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide.
What is the SMILES notation for 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide?
The canonical SMILES for 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide is Cc1ccc(C(C)(C)C)cc1S(=O)(=O)Nc1ccc(C(=O)NNC(=O)c2ccco2)cc1.
What is the InChIKey of 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide?
The InChIKey is QPMUQDZTKSAGIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N3O5S/c1-15-7-10-17(23(2,3)4)14-20(15)32(29,30)26-18-11-8-16(9-12-18)21(27)24-25-22(28)19-6-5-13-31-19/h5-14,26H,1-4H3,(H,24,27)(H,25,28).
What are the key properties of 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide?
5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide has a molecular weight of 455.54 g/mol, XLogP of 3.76, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-N-[4-[(furan-2-carbonylamino)carbamoyl]phenyl]-2-methylbenzenesulfonamide is sourced from PubChem (CID 2107998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).