5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide

C21H19N3O5S3 — CID 55479527

IUPAC5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H19N3O5S3/c25-20(16-6-7-17(29-16)21-23-15-3-1-2-4-18(15)31-21)22-13-14-5-8-19(30-14)32(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,25)
InChIKeyMHFASMBCYAJABY-UHFFFAOYSA-N
MW489.60 g/mol
LogP3.57
Rot. Bonds6

About 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide

5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide (PubChem CID 55479527) has the molecular formula C21H19N3O5S3 and a molecular weight of 489.60 g/mol. Its IUPAC name is 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide.

Molecular Properties

Compound Name5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
PubChem CID55479527
Molecular FormulaC21H19N3O5S3
Molecular Weight489.60 g/mol
Exact Mass489.05
IUPAC Name5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2nc3ccccc3s2)o1
InChIInChI=1S/C21H19N3O5S3/c25-20(16-6-7-17(29-16)21-23-15-3-1-2-4-18(15)31-21)22-13-14-5-8-19(30-14)32(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,25)
InChIKeyMHFASMBCYAJABY-UHFFFAOYSA-N
XLogP3.57
TPSA101.74 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.60
LogP ≤ 53.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

5-(2-chlorophenyl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide
CID 41312007
5-(1,3-benzothiazol-2-yl)-N-[[(3S)-3-morpholin-4-ylthiolan-3-yl]methyl]furan-2-carboxamide
CID 51941830
5-(1,3-benzothiazol-2-yl)-N-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-ylmethyl)furan-2-carboxamide
CID 51109924
5-(1,3-benzothiazol-2-yl)-N-[(4-cyanophenyl)methyl]furan-2-carboxamide
CID 134035305
N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]acetamide
CID 39792074
N-[2-(benzenesulfonamido)ethyl]-5-(1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 78847259
5-(benzenesulfonylmethyl)-N-[[5-(1,3-benzothiazol-2-yl)furan-2-yl]methyl]furan-2-carboxamide
CID 55489815
5-(1,3-benzothiazol-2-yl)-N-(6-morpholin-4-yl-3-pyridinyl)furan-2-carboxamide
CID 55501236
2-(1-methylpyrazol-4-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]-1,3-thiazole-4-carboxamide
CID 55788904
5-(1,3-benzothiazol-2-yl)-N-(3-phenylpropyl)furan-2-carboxamide
CID 55329409
N-[(5-ethylthiophen-2-yl)methyl]-5-morpholin-4-ylsulfonylfuran-2-carboxamide
CID 46466417
5-(1,3-benzothiazol-2-yl)-N-[2-[(2-hydroxybenzoyl)amino]ethyl]furan-2-carboxamide
CID 60572100

Frequently Asked Questions

What is the IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The IUPAC name of 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide (CID 55479527) is 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide.
What is the SMILES notation for 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The canonical SMILES for 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCOCC2)s1)c1ccc(-c2nc3ccccc3s2)o1.
What is the InChIKey of 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
The InChIKey is MHFASMBCYAJABY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19N3O5S3/c25-20(16-6-7-17(29-16)21-23-15-3-1-2-4-18(15)31-21)22-13-14-5-8-19(30-14)32(26,27)24-9-11-28-12-10-24/h1-8H,9-13H2,(H,22,25).
What are the key properties of 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide?
5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide has a molecular weight of 489.60 g/mol, XLogP of 3.57, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1,3-benzothiazol-2-yl)-N-[(5-morpholin-4-ylsulfonylthiophen-2-yl)methyl]furan-2-carboxamide is sourced from PubChem (CID 55479527), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).