N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

C24H29N3O2S — CID 43067592

IUPACN-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(OCc2cscn2)c1)Cc1ccccc1
InChIInChI=1S/C24H29N3O2S/c1-3-27(4-2)22(13-19-9-6-5-7-10-19)15-25-24(28)20-11-8-12-23(14-20)29-16-21-17-30-18-26-21/h5-12,14,17-18,22H,3-4,13,15-16H2,1-2H3,(H,25,28)
InChIKeyHIJJORADAAZIAE-UHFFFAOYSA-N
MW423.58 g/mol
LogP4.41
Rot. Bonds11

About N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide

N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (PubChem CID 43067592) has the molecular formula C24H29N3O2S and a molecular weight of 423.58 g/mol. Its IUPAC name is N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
PubChem CID43067592
Molecular FormulaC24H29N3O2S
Molecular Weight423.58 g/mol
Exact Mass423.20
IUPAC NameN-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
SMILESCCN(CC)C(CNC(=O)c1cccc(OCc2cscn2)c1)Cc1ccccc1
InChIInChI=1S/C24H29N3O2S/c1-3-27(4-2)22(13-19-9-6-5-7-10-19)15-25-24(28)20-11-8-12-23(14-20)29-16-21-17-30-18-26-21/h5-12,14,17-18,22H,3-4,13,15-16H2,1-2H3,(H,25,28)
InChIKeyHIJJORADAAZIAE-UHFFFAOYSA-N
XLogP4.41
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.58
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-2-(dimethylamino)-2-(4-ethylphenyl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 34972413
N-(dicyclopropylmethyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24659217
N-[2-[4-(difluoromethoxy)phenyl]-2-hydroxyethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 86967198
N-(2-hydroxy-3-phenylpropyl)-3-propoxybenzamide
CID 111102702
N-[phenyl(thiophen-2-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24682427
N'-(2,3,4,5,6-pentafluorophenyl)-3-(1,3-thiazol-4-ylmethoxy)benzohydrazide
CID 86912306
N-[(2R)-2-(ethylamino)propyl]-3-phenylmethoxybenzamide
CID 120650597
N-[2-(1,3-benzodioxol-5-yl)ethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 46649516
N-[2-(methylamino)propyl]-3-phenylmethoxybenzamide
CID 120833158
N-[(4-hydroxypyrrolidin-3-yl)methyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 120946723
N-(3-iodo-4-methylphenyl)-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 27009451
N-[2-(3,4-dimethoxyphenyl)-2-morpholin-4-ylethyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide
CID 24647039

Frequently Asked Questions

What is the IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The IUPAC name of N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide (CID 43067592) is N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is CCN(CC)C(CNC(=O)c1cccc(OCc2cscn2)c1)Cc1ccccc1.
What is the InChIKey of N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
The InChIKey is HIJJORADAAZIAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N3O2S/c1-3-27(4-2)22(13-19-9-6-5-7-10-19)15-25-24(28)20-11-8-12-23(14-20)29-16-21-17-30-18-26-21/h5-12,14,17-18,22H,3-4,13,15-16H2,1-2H3,(H,25,28).
What are the key properties of N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide?
N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide has a molecular weight of 423.58 g/mol, XLogP of 4.41, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(diethylamino)-3-phenylpropyl]-3-(1,3-thiazol-4-ylmethoxy)benzamide is sourced from PubChem (CID 43067592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).