N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide

C20H20N2O3S — CID 75981701

IUPACN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
SMILESCCOc1ccc(N(C(=O)C2CCCO2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-24-15-11-9-14(10-12-15)22(19(23)17-7-5-13-25-17)20-21-16-6-3-4-8-18(16)26-20/h3-4,6,8-12,17H,2,5,7,13H2,1H3
InChIKeyCZTFUWXJRCMSPP-UHFFFAOYSA-N
MW368.46 g/mol
LogP4.54
Rot. Bonds5

About N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide

N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide (PubChem CID 75981701) has the molecular formula C20H20N2O3S and a molecular weight of 368.46 g/mol. Its IUPAC name is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide.

Molecular Properties

Compound NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
PubChem CID75981701
Molecular FormulaC20H20N2O3S
Molecular Weight368.46 g/mol
Exact Mass368.12
IUPAC NameN-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide
SMILESCCOc1ccc(N(C(=O)C2CCCO2)c2nc3ccccc3s2)cc1
InChIInChI=1S/C20H20N2O3S/c1-2-24-15-11-9-14(10-12-15)22(19(23)17-7-5-13-25-17)20-21-16-6-3-4-8-18(16)26-20/h3-4,6,8-12,17H,2,5,7,13H2,1H3
InChIKeyCZTFUWXJRCMSPP-UHFFFAOYSA-N
XLogP4.54
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.46
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

(3S)-N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2,3-dihydro-1,4-benzodioxine-3-carboxamide
CID 41214666
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-methylpropanamide
CID 9208855
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55624087
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 8720144
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-1-(thiophene-2-carbonyl)piperidine-3-carboxamide
CID 55560167
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 78775525
N-[3-[N-(1,3-benzothiazol-2-yl)-4-ethoxyanilino]-3-oxopropyl]naphthalene-2-carboxamide
CID 112816133
N-(1,3-benzothiazol-2-yl)-4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-(4-ethoxyphenyl)benzamide
CID 55381075
N-(1,3-benzothiazol-2-yl)-2-(4-chloro-3-methylphenoxy)-N-(oxolan-2-ylmethyl)acetamide
CID 4016010
N-(1,3-benzothiazol-2-yl)-2-(4-ethoxyphenyl)sulfanyl-N-methylacetamide
CID 34256508
N-(1,3-benzothiazol-2-yl)-4-ethoxy-N-(3-morpholin-4-ium-4-ylpropyl)benzamide
CID 7615505
N-(1,3-benzothiazol-2-yl)-N-(4-ethylphenyl)-1,4-dithiane-2-carboxamide
CID 112760795

Frequently Asked Questions

What is the IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide?
The IUPAC name of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide (CID 75981701) is N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide.
What is the SMILES notation for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide?
The canonical SMILES for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide is CCOc1ccc(N(C(=O)C2CCCO2)c2nc3ccccc3s2)cc1.
What is the InChIKey of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide?
The InChIKey is CZTFUWXJRCMSPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O3S/c1-2-24-15-11-9-14(10-12-15)22(19(23)17-7-5-13-25-17)20-21-16-6-3-4-8-18(16)26-20/h3-4,6,8-12,17H,2,5,7,13H2,1H3.
What are the key properties of N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide?
N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide has a molecular weight of 368.46 g/mol, XLogP of 4.54, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,3-benzothiazol-2-yl)-N-(4-ethoxyphenyl)oxolane-2-carboxamide is sourced from PubChem (CID 75981701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).