3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

C24H27N3O3S — CID 86953668

IUPAC3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2csc(N3CCCC3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-29-22-15-19(9-10-21(22)30-16-18-7-3-2-4-8-18)23(28)25-12-11-20-17-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,25,28)
InChIKeyPMLFKCCTYDFUFB-UHFFFAOYSA-N
MW437.57 g/mol
LogP4.30
Rot. Bonds9

About 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide

3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (PubChem CID 86953668) has the molecular formula C24H27N3O3S and a molecular weight of 437.57 g/mol. Its IUPAC name is 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.

Molecular Properties

Compound Name3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
PubChem CID86953668
Molecular FormulaC24H27N3O3S
Molecular Weight437.57 g/mol
Exact Mass437.18
IUPAC Name3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
SMILESCOc1cc(C(=O)NCCc2csc(N3CCCC3)n2)ccc1OCc1ccccc1
InChIInChI=1S/C24H27N3O3S/c1-29-22-15-19(9-10-21(22)30-16-18-7-3-2-4-8-18)23(28)25-12-11-20-17-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,25,28)
InChIKeyPMLFKCCTYDFUFB-UHFFFAOYSA-N
XLogP4.30
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.57
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398045
3-methyl-N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398163
4-bromo-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide
CID 110398036
methyl N-[2-(2-piperidin-1-yl-1,3-thiazol-4-yl)ethyl]carbamate
CID 110398213
4-methoxy-N-[2-(4-methoxyphenyl)ethyl]-3-phenylmethoxybenzamide
CID 102275791
N-[2-[2-(4-chlorophenyl)-1,3-thiazol-4-yl]ethyl]-3,4-dimethoxybenzamide
CID 7216582
2-amino-3-phenyl-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide;dihydrochloride
CID 119888171
N-(3-hydroxy-3-phenylpropyl)-4-methoxy-3-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)benzamide
CID 91958371
N-[2-(4-fluoro-1-methylbenzimidazol-2-yl)ethyl]-3-methoxy-4-phenylmethoxybenzamide
CID 86906316
3-(4-methoxyphenyl)-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]propanamide
CID 110398093
3-methoxy-N-(3-phenoxypropyl)-4-phenylmethoxybenzamide
CID 55431173
N-(cyclopropylmethyl)-3-methoxy-4-phenylmethoxybenzamide
CID 34822397

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The IUPAC name of 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide (CID 86953668) is 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide.
What is the SMILES notation for 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The canonical SMILES for 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is COc1cc(C(=O)NCCc2csc(N3CCCC3)n2)ccc1OCc1ccccc1.
What is the InChIKey of 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
The InChIKey is PMLFKCCTYDFUFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N3O3S/c1-29-22-15-19(9-10-21(22)30-16-18-7-3-2-4-8-18)23(28)25-12-11-20-17-31-24(26-20)27-13-5-6-14-27/h2-4,7-10,15,17H,5-6,11-14,16H2,1H3,(H,25,28).
What are the key properties of 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide?
3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide has a molecular weight of 437.57 g/mol, XLogP of 4.30, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-phenylmethoxy-N-[2-(2-pyrrolidin-1-yl-1,3-thiazol-4-yl)ethyl]benzamide is sourced from PubChem (CID 86953668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).