N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide

C21H17N3O4S — CID 9193366

IUPACN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1
InChIInChI=1S/C21H17N3O4S/c1-2-27-15-9-10-16-18(12-15)29-21(23-16)24-19(25)13-5-7-14(8-6-13)22-20(26)17-4-3-11-28-17/h3-12H,2H2,1H3,(H,22,26)(H,23,24,25)
InChIKeySGJSCRRDROTPPK-UHFFFAOYSA-N
MW407.45 g/mol
LogP4.79
Rot. Bonds6

About N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide

N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide (PubChem CID 9193366) has the molecular formula C21H17N3O4S and a molecular weight of 407.45 g/mol. Its IUPAC name is N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide.

Molecular Properties

Compound NameN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
PubChem CID9193366
Molecular FormulaC21H17N3O4S
Molecular Weight407.45 g/mol
Exact Mass407.09
IUPAC NameN-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1
InChIInChI=1S/C21H17N3O4S/c1-2-27-15-9-10-16-18(12-15)29-21(23-16)24-19(25)13-5-7-14(8-6-13)22-20(26)17-4-3-11-28-17/h3-12H,2H2,1H3,(H,22,26)(H,23,24,25)
InChIKeySGJSCRRDROTPPK-UHFFFAOYSA-N
XLogP4.79
TPSA93.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.45
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(6-propoxy-1,3-benzothiazol-2-yl)furan-2-carboxamide
CID 19213737
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-(2-oxo-2-phenylacetyl)benzamide
CID 19209994
4-benzoyl-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 2332417
ethyl 2-(furan-2-carbonylamino)-1,3-benzothiazole-6-carboxylate
CID 646260
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-[6-[(4-iodobenzoyl)amino]-1,3-benzothiazol-2-yl]furan-2-carboxamide
CID 17127294
N-[3-[[6-(2,2,2-trifluoroethoxy)-1,3-benzothiazol-2-yl]carbamoyl]phenyl]furan-2-carboxamide
CID 55851453
N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl] acetate
CID 4626865
4-(dimethylamino)-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 3598330
N-(4-ethoxyphenyl)furan-2-carboxamide
CID 711236
N-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320

Frequently Asked Questions

What is the IUPAC name of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The IUPAC name of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide (CID 9193366) is N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide.
What is the SMILES notation for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The canonical SMILES for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(NC(=O)c4ccco4)cc3)sc2c1.
What is the InChIKey of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
The InChIKey is SGJSCRRDROTPPK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17N3O4S/c1-2-27-15-9-10-16-18(12-15)29-21(23-16)24-19(25)13-5-7-14(8-6-13)22-20(26)17-4-3-11-28-17/h3-12H,2H2,1H3,(H,22,26)(H,23,24,25).
What are the key properties of N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide?
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide has a molecular weight of 407.45 g/mol, XLogP of 4.79, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide is sourced from PubChem (CID 9193366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).