[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

C19H14N3O4S2- — CID 4757302

IUPAC[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)oc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H2,20,21,22,23)/p-1
InChIKeyYUBZPIULCVWRMT-UHFFFAOYSA-M
MW412.47 g/mol
LogP4.84
Rot. Bonds5

About [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide

[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (PubChem CID 4757302) has the molecular formula C19H14N3O4S2- and a molecular weight of 412.47 g/mol. Its IUPAC name is [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.

Molecular Properties

Compound Name[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
PubChem CID4757302
Molecular FormulaC19H14N3O4S2-
Molecular Weight412.47 g/mol
Exact Mass412.04
IUPAC Name[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide
SMILESCc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)oc2ccccc12
InChIInChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H2,20,21,22,23)/p-1
InChIKeyYUBZPIULCVWRMT-UHFFFAOYSA-M
XLogP4.84
TPSA103.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.47
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The IUPAC name of [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide (CID 4757302) is [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide.
What is the SMILES notation for [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The canonical SMILES for [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is Cc1c(C(=O)Nc2ccc(S(=O)(=O)[N-]c3nccs3)cc2)oc2ccccc12.
What is the InChIKey of [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
The InChIKey is YUBZPIULCVWRMT-UHFFFAOYSA-M. The full InChI is InChI=1S/C19H15N3O4S2/c1-12-15-4-2-3-5-16(15)26-17(12)18(23)21-13-6-8-14(9-7-13)28(24,25)22-19-20-10-11-27-19/h2-11H,1H3,(H2,20,21,22,23)/p-1.
What are the key properties of [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide?
[4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide has a molecular weight of 412.47 g/mol, XLogP of 4.84, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[(3-methyl-1-benzofuran-2-carbonyl)amino]phenyl]sulfonyl-(1,3-thiazol-2-yl)azanide is sourced from PubChem (CID 4757302), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).