N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

C17H12N2O6S2 — CID 90613206

IUPACN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1
InChIInChI=1S/C17H12N2O6S2/c20-16(14-2-1-7-24-14)15-6-3-10(26-15)9-18-27(22,23)11-4-5-13-12(8-11)19-17(21)25-13/h1-8,18H,9H2,(H,19,21)
InChIKeyWDOIVNMNBPWCKB-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.49
Rot. Bonds6

About N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 90613206) has the molecular formula C17H12N2O6S2 and a molecular weight of 404.43 g/mol. Its IUPAC name is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID90613206
Molecular FormulaC17H12N2O6S2
Molecular Weight404.43 g/mol
Exact Mass404.01
IUPAC NameN-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1
InChIInChI=1S/C17H12N2O6S2/c20-16(14-2-1-7-24-14)15-6-3-10(26-15)9-18-27(22,23)11-4-5-13-12(8-11)19-17(21)25-13/h1-8,18H,9H2,(H,19,21)
InChIKeyWDOIVNMNBPWCKB-UHFFFAOYSA-N
XLogP2.49
TPSA122.38 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide with MolForge

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Related Compounds

N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613246
4-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]benzenesulfonamide
CID 90612294
3-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-4-methylbenzenesulfonamide
CID 90612314
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480
5-chloro-N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-methoxybenzenesulfonamide
CID 90612336
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-1H-indole-2-carboxamide
CID 90613186

Frequently Asked Questions

What is the IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 90613206) is N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is O=C(c1ccco1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1.
What is the InChIKey of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is WDOIVNMNBPWCKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12N2O6S2/c20-16(14-2-1-7-24-14)15-6-3-10(26-15)9-18-27(22,23)11-4-5-13-12(8-11)19-17(21)25-13/h1-8,18H,9H2,(H,19,21).
What are the key properties of N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 404.43 g/mol, XLogP of 2.49, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 90613206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).