N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C24H26N2O3S — CID 55552254

IUPACN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(OCc3cscn3)c2)C(C)C2CC2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17(19-8-9-19)26(13-18-6-10-22(28-2)11-7-18)24(27)20-4-3-5-23(12-20)29-14-21-15-30-16-25-21/h3-7,10-12,15-17,19H,8-9,13-14H2,1-2H3
InChIKeyCWJYFNDGQPLJSZ-UHFFFAOYSA-N
MW422.55 g/mol
LogP5.17
Rot. Bonds9

About N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 55552254) has the molecular formula C24H26N2O3S and a molecular weight of 422.55 g/mol. Its IUPAC name is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID55552254
Molecular FormulaC24H26N2O3S
Molecular Weight422.55 g/mol
Exact Mass422.17
IUPAC NameN-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCOc1ccc(CN(C(=O)c2cccc(OCc3cscn3)c2)C(C)C2CC2)cc1
InChIInChI=1S/C24H26N2O3S/c1-17(19-8-9-19)26(13-18-6-10-22(28-2)11-7-18)24(27)20-4-3-5-23(12-20)29-14-21-15-30-16-25-21/h3-7,10-12,15-17,19H,8-9,13-14H2,1-2H3
InChIKeyCWJYFNDGQPLJSZ-UHFFFAOYSA-N
XLogP5.17
TPSA51.66 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500422.55
LogP ≤ 55.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-benzodioxole-5-carboxamide
CID 55552023
N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 134054636
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-(2,3-dihydro-1,4-benzodioxin-6-ylmethyl)-N-methyl-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 39431921
(4-methoxyphenyl)-[1-[3-(1,3-thiazol-4-ylmethoxy)benzoyl]piperidin-4-yl]methanone
CID 25475563
N-[(1S)-1-cyclopropylethyl]-N-(4-methoxyphenyl)-1,3-thiazole-4-carboxamide
CID 124527848
3-bromo-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]thiophene-2-carboxamide
CID 55762149
2-benzyl-N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 55670905
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-1-benzofuran-2-carboxamide
CID 42945917
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-2-thiophen-3-yl-1,3-thiazole-4-carboxamide
CID 55550967
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46649516
N-cyclopropyl-N-[(4-methoxyphenyl)methyl]-1,3-thiazole-4-carboxamide
CID 62045651

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 55552254) is N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is COc1ccc(CN(C(=O)c2cccc(OCc3cscn3)c2)C(C)C2CC2)cc1.
What is the InChIKey of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is CWJYFNDGQPLJSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N2O3S/c1-17(19-8-9-19)26(13-18-6-10-22(28-2)11-7-18)24(27)20-4-3-5-23(12-20)29-14-21-15-30-16-25-21/h3-7,10-12,15-17,19H,8-9,13-14H2,1-2H3.
What are the key properties of N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 422.55 g/mol, XLogP of 5.17, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylethyl)-N-[(4-methoxyphenyl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 55552254), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).