tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate

C20H25FN2O5S2 — CID 69415747

IUPACtert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate
SMILESCC(=O)c1cc(S(=O)(=O)NCCCc2ccc(F)cc2)c(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C20H25FN2O5S2/c1-13(24)16-12-17(18(29-16)23-19(25)28-20(2,3)4)30(26,27)22-11-5-6-14-7-9-15(21)10-8-14/h7-10,12,22H,5-6,11H2,1-4H3,(H,23,25)
InChIKeyFHLJZKHNCTZGDN-UHFFFAOYSA-N
MW456.56 g/mol
LogP4.35
Rot. Bonds8

About tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate

tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate (PubChem CID 69415747) has the molecular formula C20H25FN2O5S2 and a molecular weight of 456.56 g/mol. Its IUPAC name is tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate.

Molecular Properties

Compound Nametert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate
PubChem CID69415747
Molecular FormulaC20H25FN2O5S2
Molecular Weight456.56 g/mol
Exact Mass456.12
IUPAC Nametert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate
SMILESCC(=O)c1cc(S(=O)(=O)NCCCc2ccc(F)cc2)c(NC(=O)OC(C)(C)C)s1
InChIInChI=1S/C20H25FN2O5S2/c1-13(24)16-12-17(18(29-16)23-19(25)28-20(2,3)4)30(26,27)22-11-5-6-14-7-9-15(21)10-8-14/h7-10,12,22H,5-6,11H2,1-4H3,(H,23,25)
InChIKeyFHLJZKHNCTZGDN-UHFFFAOYSA-N
XLogP4.35
TPSA101.57 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500456.56
LogP ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tert-butyl N-[5-bromo-3-[2-(4-fluorophenyl)ethyl-methylsulfamoyl]thiophen-2-yl]carbamate
CID 69414003
tert-butyl N-[3-[[3-(4-fluorophenyl)-3-(methoxymethoxy)propyl]sulfamoyl]-5-formylthiophen-2-yl]carbamate
CID 87824570
tert-butyl N-[4-[2-(4-fluorophenyl)ethylamino]phenyl]carbamate
CID 112983477
tert-butyl N-[4-[3-(propan-2-ylsulfamoylamino)propyl]phenyl]carbamate
CID 110613438
tert-butyl 4-[(2,4-difluorophenyl)sulfonylamino]butanoate
CID 3577998
tert-butyl N-[2-[(2-amino-5-fluorophenyl)sulfonylamino]ethyl]carbamate
CID 104932760
2,5-difluoro-N-(3-phenylpropyl)benzenesulfonamide
CID 19680937
tert-butyl N-[3-(4-methylphenyl)propyl]carbamate
CID 142219168
tert-butyl N-[1-amino-4-(4-fluorophenyl)-2-methylbutan-2-yl]carbamate
CID 84730989
3-[2-(4-fluorophenyl)ethylsulfamoyl]-4-methoxybenzoic acid
CID 1242504
tert-butyl N-[2-[[2-(4-fluorophenyl)acetyl]amino]ethyl]carbamate
CID 71089085
tert-butyl N-[3-(4-aminophenyl)propyl]carbamate
CID 39353167

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate?
The IUPAC name of tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate (CID 69415747) is tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate.
What is the SMILES notation for tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate?
The canonical SMILES for tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate is CC(=O)c1cc(S(=O)(=O)NCCCc2ccc(F)cc2)c(NC(=O)OC(C)(C)C)s1.
What is the InChIKey of tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate?
The InChIKey is FHLJZKHNCTZGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25FN2O5S2/c1-13(24)16-12-17(18(29-16)23-19(25)28-20(2,3)4)30(26,27)22-11-5-6-14-7-9-15(21)10-8-14/h7-10,12,22H,5-6,11H2,1-4H3,(H,23,25).
What are the key properties of tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate?
tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate has a molecular weight of 456.56 g/mol, XLogP of 4.35, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[5-acetyl-3-[3-(4-fluorophenyl)propylsulfamoyl]thiophen-2-yl]carbamate is sourced from PubChem (CID 69415747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).