N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide

C16H15N3O5S2 — CID 112525792

IUPACN-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H15N3O5S2/c20-16(18-11-1-2-12-14(9-11)25-10-17-12)13-3-4-15(24-13)26(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8H2,(H,18,20)
InChIKeyXJKSMWUMTTYJHV-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.16
Rot. Bonds4

About N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide

N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide (PubChem CID 112525792) has the molecular formula C16H15N3O5S2 and a molecular weight of 393.45 g/mol. Its IUPAC name is N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
PubChem CID112525792
Molecular FormulaC16H15N3O5S2
Molecular Weight393.45 g/mol
Exact Mass393.05
IUPAC NameN-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
SMILESO=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)N2CCOCC2)o1
InChIInChI=1S/C16H15N3O5S2/c20-16(18-11-1-2-12-14(9-11)25-10-17-12)13-3-4-15(24-13)26(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8H2,(H,18,20)
InChIKeyXJKSMWUMTTYJHV-UHFFFAOYSA-N
XLogP2.16
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

N-(1,3-benzothiazol-6-yl)-5-chlorofuran-2-carboxamide
CID 113223158
5-morpholin-4-ylsulfonyl-N-(2,4,6-trimethylphenyl)furan-2-carboxamide
CID 39087927
N-(2-hydroxyphenyl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 84578663
N-[3-chloro-4-(3-oxopiperazin-1-yl)phenyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46485397
N-(1,3-benzothiazol-6-yl)-1-benzofuran-2-carboxamide
CID 16858046
N-(1,3-benzothiazol-6-yl)-4-methyl-3-[(2-morpholin-4-ylacetyl)amino]benzamide
CID 172661523
methyl 2-(1,3-benzothiazol-6-ylamino)-2-oxoacetate
CID 107800350
N-(3-cyanophenyl)-5-pyrrolidin-1-ylsulfonylfuran-2-carboxamide
CID 46408539
5-morpholin-4-ylsulfonyl-N-(2-phenoxyethyl)furan-2-carboxamide
CID 30233770
N-(1,3-benzothiazol-6-yl)-4-(3-methylpiperidin-1-yl)sulfonylbenzamide
CID 16831300
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-2-(3,4-dichlorophenyl)acetamide
CID 4597385
N-(4-chloro-3-morpholin-4-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 4054605

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide (CID 112525792) is N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide is O=C(Nc1ccc2ncsc2c1)c1ccc(S(=O)(=O)N2CCOCC2)o1.
What is the InChIKey of N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
The InChIKey is XJKSMWUMTTYJHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3O5S2/c20-16(18-11-1-2-12-14(9-11)25-10-17-12)13-3-4-15(24-13)26(21,22)19-5-7-23-8-6-19/h1-4,9-10H,5-8H2,(H,18,20).
What are the key properties of N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide?
N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide has a molecular weight of 393.45 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-6-yl)-5-morpholin-4-ylsulfonylfuran-2-carboxamide is sourced from PubChem (CID 112525792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).