N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide

C24H29N3O4S2 — CID 7060188

IUPACN-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O4S2/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)27-33(29,30)20-6-4-19(5-7-20)25-23(32)26-22(28)21-3-2-8-31-21/h2-8,15-18,27H,9-14H2,1H3,(H2,25,26,28,32)/t15-,16?,17?,18?,24?/m1/s1
InChIKeyGYEHRICDHYLHME-LJQCHSNASA-N
MW487.65 g/mol
LogP4.29
Rot. Bonds6

About N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide

N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide (PubChem CID 7060188) has the molecular formula C24H29N3O4S2 and a molecular weight of 487.65 g/mol. Its IUPAC name is N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
PubChem CID7060188
Molecular FormulaC24H29N3O4S2
Molecular Weight487.65 g/mol
Exact Mass487.16
IUPAC NameN-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide
SMILESC[C@@H](NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1)C12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C24H29N3O4S2/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)27-33(29,30)20-6-4-19(5-7-20)25-23(32)26-22(28)21-3-2-8-31-21/h2-8,15-18,27H,9-14H2,1H3,(H2,25,26,28,32)/t15-,16?,17?,18?,24?/m1/s1
InChIKeyGYEHRICDHYLHME-LJQCHSNASA-N
XLogP4.29
TPSA100.44 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.65
LogP ≤ 54.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-[(1S)-1-(1-adamantyl)ethyl]benzenesulfonamide
CID 40554657
N-[(4-pyrrolidin-1-ylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 2329057
N-[(4-benzylsulfonylphenyl)carbamothioyl]furan-2-carboxamide
CID 148887016
N-[1-(1-adamantyl)ethyl]-4-ethylbenzenesulfonamide
CID 19681569
4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 6945375
1-[1-(1-adamantyl)ethyl]-3-(4-sulfamoylphenyl)thiourea
CID 19651629
N-[1-oxo-1-[4-(propan-2-ylsulfamoyl)anilino]propan-2-yl]furan-2-carboxamide
CID 24635381
N-[1-(1-adamantyl)ethyl]-4-tert-butylbenzenesulfonamide
CID 19681573
N-[5-[1-(1-adamantyl)ethylcarbamoyl]thiophen-2-yl]furan-2-carboxamide
CID 17468523
2-methylpropyl 4-(furan-2-carbonylcarbamothioylamino)benzoate
CID 19187791
N-[3-[[(1S)-1-(1-adamantyl)ethyl]amino]-3-oxopropyl]furan-2-carboxamide
CID 7689128
N-[4-[[2-(1-adamantyl)acetyl]carbamothioylamino]-2-methylphenyl]furan-2-carboxamide
CID 3579640

Frequently Asked Questions

What is the IUPAC name of N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide?
The IUPAC name of N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide (CID 7060188) is N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide.
What is the SMILES notation for N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide?
The canonical SMILES for N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide is C[C@@H](NS(=O)(=O)c1ccc(NC(=S)NC(=O)c2ccco2)cc1)C12CC3CC(CC(C3)C1)C2.
What is the InChIKey of N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide?
The InChIKey is GYEHRICDHYLHME-LJQCHSNASA-N. The full InChI is InChI=1S/C24H29N3O4S2/c1-15(24-12-16-9-17(13-24)11-18(10-16)14-24)27-33(29,30)20-6-4-19(5-7-20)25-23(32)26-22(28)21-3-2-8-31-21/h2-8,15-18,27H,9-14H2,1H3,(H2,25,26,28,32)/t15-,16?,17?,18?,24?/m1/s1.
What are the key properties of N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide?
N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide has a molecular weight of 487.65 g/mol, XLogP of 4.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[[(1R)-1-(1-adamantyl)ethyl]sulfamoyl]phenyl]carbamothioyl]furan-2-carboxamide is sourced from PubChem (CID 7060188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).