N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

C25H31N3O3S — CID 24646432

IUPACN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OCc2csc(C)n2)cc1)c1cccc(OC)c1
InChIInChI=1S/C25H31N3O3S/c1-5-28(6-2)24(20-8-7-9-23(14-20)30-4)15-26-25(29)19-10-12-22(13-11-19)31-16-21-17-32-18(3)27-21/h7-14,17,24H,5-6,15-16H2,1-4H3,(H,26,29)
InChIKeyORRUTRNXBCXLHP-UHFFFAOYSA-N
MW453.61 g/mol
LogP4.85
Rot. Bonds11

About N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (PubChem CID 24646432) has the molecular formula C25H31N3O3S and a molecular weight of 453.61 g/mol. Its IUPAC name is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
PubChem CID24646432
Molecular FormulaC25H31N3O3S
Molecular Weight453.61 g/mol
Exact Mass453.21
IUPAC NameN-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
SMILESCCN(CC)C(CNC(=O)c1ccc(OCc2csc(C)n2)cc1)c1cccc(OC)c1
InChIInChI=1S/C25H31N3O3S/c1-5-28(6-2)24(20-8-7-9-23(14-20)30-4)15-26-25(29)19-10-12-22(13-11-19)31-16-21-17-32-18(3)27-21/h7-14,17,24H,5-6,15-16H2,1-4H3,(H,26,29)
InChIKeyORRUTRNXBCXLHP-UHFFFAOYSA-N
XLogP4.85
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.61
LogP ≤ 54.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide with MolForge

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Related Compounds

N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 134032752
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-(pyridin-4-ylmethoxy)benzamide
CID 43054752
N-[2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 46438111
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]pyridine-4-carboxamide
CID 51283227
2-(aminomethyl)-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 119837718
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-dimethoxybenzamide
CID 51283235
3-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-1,2-dimethyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]guanidine;hydroiodide
CID 109420897
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-3,4-difluorobenzamide
CID 46545764
3-[(2-methyl-1,3-thiazol-4-yl)methoxy]-N-(2-phenylpropyl)benzamide
CID 55445874
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-2-hydroxy-4-methoxybenzamide
CID 134032750
N-(4-methoxyphenyl)-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide
CID 9043458
3-amino-N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]benzamide
CID 119837714

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The IUPAC name of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide (CID 24646432) is N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide.
What is the SMILES notation for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The canonical SMILES for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is CCN(CC)C(CNC(=O)c1ccc(OCc2csc(C)n2)cc1)c1cccc(OC)c1.
What is the InChIKey of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
The InChIKey is ORRUTRNXBCXLHP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N3O3S/c1-5-28(6-2)24(20-8-7-9-23(14-20)30-4)15-26-25(29)19-10-12-22(13-11-19)31-16-21-17-32-18(3)27-21/h7-14,17,24H,5-6,15-16H2,1-4H3,(H,26,29).
What are the key properties of N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide?
N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide has a molecular weight of 453.61 g/mol, XLogP of 4.85, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-2-(3-methoxyphenyl)ethyl]-4-[(2-methyl-1,3-thiazol-4-yl)methoxy]benzamide is sourced from PubChem (CID 24646432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).