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

C22H19N3O3S2 — CID 46491498

IUPACN-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)sc2c1
InChIInChI=1S/C22H19N3O3S2/c1-2-28-16-9-10-17-19(12-16)30-22(24-17)25-20(26)15-7-5-14(6-8-15)13-23-21(27)18-4-3-11-29-18/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyGHRVIQQVVQDRFT-UHFFFAOYSA-N
MW437.55 g/mol
LogP4.94
Rot. Bonds7

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

N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (PubChem CID 46491498) has the molecular formula C22H19N3O3S2 and a molecular weight of 437.55 g/mol. Its IUPAC name is N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
PubChem CID46491498
Molecular FormulaC22H19N3O3S2
Molecular Weight437.55 g/mol
Exact Mass437.09
IUPAC NameN-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide
SMILESCCOc1ccc2nc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)sc2c1
InChIInChI=1S/C22H19N3O3S2/c1-2-28-16-9-10-17-19(12-16)30-22(24-17)25-20(26)15-7-5-14(6-8-15)13-23-21(27)18-4-3-11-29-18/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26)
InChIKeyGHRVIQQVVQDRFT-UHFFFAOYSA-N
XLogP4.94
TPSA80.32 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.55
LogP ≤ 54.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide with MolForge

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Related Compounds

N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-iodobenzamide
CID 5186892
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
N-[4-[3-[(6-ethoxy-1,3-benzothiazol-2-yl)amino]-3-oxopropyl]-1,3-thiazol-2-yl]thiophene-2-carboxamide
CID 42208438
[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-(6-ethoxy-1,3-benzothiazol-2-yl)-3,5-dimethylbenzamide
CID 2834320
N-[[4-[[2-(4-ethoxyphenoxy)-4-pyridinyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55887705
3-benzamido-N-(6-ethoxy-1,3-benzothiazol-2-yl)benzamide
CID 1296094
N-[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]furan-2-carboxamide
CID 9193366
5-bromo-N-(6-ethoxy-1,3-benzothiazol-2-yl)thiophene-2-carboxamide
CID 3704578
3-chloro-N-(6-ethoxy-1,3-benzothiazol-2-yl)-4-hydroxybenzamide
CID 39951417

Frequently Asked Questions

What is the IUPAC name of N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The IUPAC name of N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide (CID 46491498) is N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The canonical SMILES for N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide is CCOc1ccc2nc(NC(=O)c3ccc(CNC(=O)c4cccs4)cc3)sc2c1.
What is the InChIKey of N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
The InChIKey is GHRVIQQVVQDRFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19N3O3S2/c1-2-28-16-9-10-17-19(12-16)30-22(24-17)25-20(26)15-7-5-14(6-8-15)13-23-21(27)18-4-3-11-29-18/h3-12H,2,13H2,1H3,(H,23,27)(H,24,25,26).
What are the key properties of N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide?
N-[[4-[(6-ethoxy-1,3-benzothiazol-2-yl)carbamoyl]phenyl]methyl]thiophene-2-carboxamide has a molecular weight of 437.55 g/mol, XLogP of 4.94, 7 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]methyl]thiophene-2-carboxamide is sourced from PubChem (CID 46491498), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).