N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide

C17H16N4O5S2 — CID 42208479

IUPACN-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H16N4O5S2/c18-28(24,25)13-6-3-11(4-7-13)19-15(22)8-5-12-10-27-17(20-12)21-16(23)14-2-1-9-26-14/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H2,18,24,25)(H,20,21,23)
InChIKeyRXPFGZLWETYYGF-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.21
Rot. Bonds7

About N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide

N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide (PubChem CID 42208479) has the molecular formula C17H16N4O5S2 and a molecular weight of 420.47 g/mol. Its IUPAC name is N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
PubChem CID42208479
Molecular FormulaC17H16N4O5S2
Molecular Weight420.47 g/mol
Exact Mass420.06
IUPAC NameN-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
SMILESNS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1
InChIInChI=1S/C17H16N4O5S2/c18-28(24,25)13-6-3-11(4-7-13)19-15(22)8-5-12-10-27-17(20-12)21-16(23)14-2-1-9-26-14/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H2,18,24,25)(H,20,21,23)
InChIKeyRXPFGZLWETYYGF-UHFFFAOYSA-N
XLogP2.21
TPSA144.39 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide with MolForge

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Related Compounds

methyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]benzoate
CID 42208461
N-[4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 27538589
N-[4-[3-oxo-3-[4-(trifluoromethoxy)anilino]propyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208460
N-[4-[3-(3-chloro-4-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208778
N-[4-[3-(2-methoxyethylamino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208452
4-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]butanoic acid
CID 80656079
N-[4-[2-(4-ethylanilino)-2-oxoethyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 17450354
N-(4-ethyl-1,3-thiazol-2-yl)furan-2-carboxamide
CID 87065618
N-[4-[3-(4-bromo-2-methylanilino)-3-oxopropyl]-1,3-thiazol-2-yl]furan-2-carboxamide
CID 42208780
3-(furan-2-yl)-N-(4-sulfamoylphenyl)propanamide
CID 18863026
N-[4-[2-oxo-2-(4-sulfamoylanilino)ethyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 41229370
ethyl 4-[3-[2-(furan-2-carbonylamino)-1,3-thiazol-4-yl]propanoylamino]piperidine-1-carboxylate
CID 42208796

Frequently Asked Questions

What is the IUPAC name of N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The IUPAC name of N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide (CID 42208479) is N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The canonical SMILES for N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide is NS(=O)(=O)c1ccc(NC(=O)CCc2csc(NC(=O)c3ccco3)n2)cc1.
What is the InChIKey of N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
The InChIKey is RXPFGZLWETYYGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O5S2/c18-28(24,25)13-6-3-11(4-7-13)19-15(22)8-5-12-10-27-17(20-12)21-16(23)14-2-1-9-26-14/h1-4,6-7,9-10H,5,8H2,(H,19,22)(H2,18,24,25)(H,20,21,23).
What are the key properties of N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide?
N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide has a molecular weight of 420.47 g/mol, XLogP of 2.21, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[3-oxo-3-(4-sulfamoylanilino)propyl]-1,3-thiazol-2-yl]furan-2-carboxamide is sourced from PubChem (CID 42208479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).