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

C19H14N2O5S2 — CID 90613246

IUPACN-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1
InChIInChI=1S/C19H14N2O5S2/c22-18(12-4-2-1-3-5-12)17-9-6-13(27-17)11-20-28(24,25)14-7-8-16-15(10-14)21-19(23)26-16/h1-10,20H,11H2,(H,21,23)
InChIKeyQYPXUBPFXOIYKV-UHFFFAOYSA-N
MW414.46 g/mol
LogP2.89
Rot. Bonds6

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

N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (PubChem CID 90613246) has the molecular formula C19H14N2O5S2 and a molecular weight of 414.46 g/mol. Its IUPAC name is N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.

Molecular Properties

Compound NameN-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
PubChem CID90613246
Molecular FormulaC19H14N2O5S2
Molecular Weight414.46 g/mol
Exact Mass414.03
IUPAC NameN-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
SMILESO=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1
InChIInChI=1S/C19H14N2O5S2/c22-18(12-4-2-1-3-5-12)17-9-6-13(27-17)11-20-28(24,25)14-7-8-16-15(10-14)21-19(23)26-16/h1-10,20H,11H2,(H,21,23)
InChIKeyQYPXUBPFXOIYKV-UHFFFAOYSA-N
XLogP2.89
TPSA109.24 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.46
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[5-(furan-2-carbonyl)thiophen-2-yl]methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 90613206
N-[(5-benzoylthiophen-2-yl)methyl]-3-chloro-4-fluorobenzenesulfonamide
CID 90613039
N-[(5-chlorothiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-6-sulfonamide
CID 110733943
N-[(2-methoxyphenyl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760660
4-acetyl-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786834
N-[(5-benzoylthiophen-2-yl)methyl]-2-nitrobenzenesulfonamide
CID 90613030
2-oxo-N-(2-thiophen-2-ylethyl)-3H-1,3-benzoxazole-5-sulfonamide
CID 110760667
N-butyl-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760630
N-[2-(dimethylamino)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 110760642
N-[2-(2-hydroxyethoxy)ethyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide
CID 146024908
3-chloro-N-[(2-oxo-3H-1,3-benzoxazol-5-yl)methyl]benzenesulfonamide
CID 110786829
2-[3-[[(2-oxo-3H-1,3-benzoxazol-6-yl)sulfonylamino]methyl]phenyl]acetic acid
CID 167864480

Frequently Asked Questions

What is the IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The IUPAC name of N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide (CID 90613246) is N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide.
What is the SMILES notation for N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The canonical SMILES for N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is O=C(c1ccccc1)c1ccc(CNS(=O)(=O)c2ccc3oc(=O)[nH]c3c2)s1.
What is the InChIKey of N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
The InChIKey is QYPXUBPFXOIYKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14N2O5S2/c22-18(12-4-2-1-3-5-12)17-9-6-13(27-17)11-20-28(24,25)14-7-8-16-15(10-14)21-19(23)26-16/h1-10,20H,11H2,(H,21,23).
What are the key properties of N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide?
N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide has a molecular weight of 414.46 g/mol, XLogP of 2.89, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-benzoylthiophen-2-yl)methyl]-2-oxo-3H-1,3-benzoxazole-5-sulfonamide is sourced from PubChem (CID 90613246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).