2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide

C24H29N3O4S — CID 42407028

IUPAC2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cscn3)c2)c1OC
InChIInChI=1S/C24H29N3O4S/c1-17(12-25-24(28)21-9-6-10-22(29-3)23(21)30-4)31-20-8-5-7-18(11-20)13-27(2)14-19-15-32-16-26-19/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyUEFREUTWQXXMIO-QGZVFWFLSA-N
MW455.58 g/mol
LogP3.99
Rot. Bonds11

About 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide

2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide (PubChem CID 42407028) has the molecular formula C24H29N3O4S and a molecular weight of 455.58 g/mol. Its IUPAC name is 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide.

Molecular Properties

Compound Name2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
PubChem CID42407028
Molecular FormulaC24H29N3O4S
Molecular Weight455.58 g/mol
Exact Mass455.19
IUPAC Name2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
SMILESCOc1cccc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cscn3)c2)c1OC
InChIInChI=1S/C24H29N3O4S/c1-17(12-25-24(28)21-9-6-10-22(29-3)23(21)30-4)31-20-8-5-7-18(11-20)13-27(2)14-19-15-32-16-26-19/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)/t17-/m1/s1
InChIKeyUEFREUTWQXXMIO-QGZVFWFLSA-N
XLogP3.99
TPSA72.92 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.58
LogP ≤ 53.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide with MolForge

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Related Compounds

N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]-2,2-diphenylacetamide
CID 26278030
N-[(2R)-2-[3-[[methyl(pyrazin-2-ylmethyl)amino]methyl]phenoxy]propyl]furan-2-carboxamide
CID 42499806
2-(3-methoxyphenyl)-N-(1,3-thiazol-4-ylmethyl)acetamide
CID 49345906
3-methoxy-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]benzamide
CID 45253226
N-[2-(dimethylamino)-2-(3-methoxyphenyl)ethyl]-2,3-dimethoxybenzamide
CID 45001541
2-methyl-N-[2-[3-[[methyl(thiophen-2-ylmethyl)amino]methyl]phenoxy]propyl]-1,3-thiazole-4-carboxamide
CID 45195426
(2R)-2-amino-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883865
2-methoxy-N-(1,3-thiazol-4-ylmethyl)benzamide
CID 49346216
3-methoxy-N-[(3-methoxyphenyl)methyl]-N-methyl-4-(1,3-thiazol-4-ylmethoxy)benzamide
CID 55582714
2-(difluoromethoxy)-3-methoxy-N-(2-methylpropyl)benzamide
CID 134059564
N-(2,2-dimethoxyethyl)-2,3-dimethoxybenzamide
CID 55025842
2-amino-2-methyl-N-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenyl]propanamide
CID 119883845

Frequently Asked Questions

What is the IUPAC name of 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The IUPAC name of 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide (CID 42407028) is 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide.
What is the SMILES notation for 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The canonical SMILES for 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide is COc1cccc(C(=O)NC[C@@H](C)Oc2cccc(CN(C)Cc3cscn3)c2)c1OC.
What is the InChIKey of 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
The InChIKey is UEFREUTWQXXMIO-QGZVFWFLSA-N. The full InChI is InChI=1S/C24H29N3O4S/c1-17(12-25-24(28)21-9-6-10-22(29-3)23(21)30-4)31-20-8-5-7-18(11-20)13-27(2)14-19-15-32-16-26-19/h5-11,15-17H,12-14H2,1-4H3,(H,25,28)/t17-/m1/s1.
What are the key properties of 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide?
2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide has a molecular weight of 455.58 g/mol, XLogP of 3.99, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dimethoxy-N-[(2R)-2-[3-[[methyl(1,3-thiazol-4-ylmethyl)amino]methyl]phenoxy]propyl]benzamide is sourced from PubChem (CID 42407028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).