N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

C23H27N3O3S — CID 46593357

IUPACN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccsc2)N(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C23H27N3O3S/c1-4-28-22-12-18(7-8-21(22)29-15-17-6-5-10-24-13-17)23(27)25-14-20(26(2)3)19-9-11-30-16-19/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27)
InChIKeyTZBMZGRCFUDBLN-UHFFFAOYSA-N
MW425.55 g/mol
LogP4.15
Rot. Bonds10

About N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 46593357) has the molecular formula C23H27N3O3S and a molecular weight of 425.55 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID46593357
Molecular FormulaC23H27N3O3S
Molecular Weight425.55 g/mol
Exact Mass425.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
SMILESCCOc1cc(C(=O)NCC(c2ccsc2)N(C)C)ccc1OCc1cccnc1
InChIInChI=1S/C23H27N3O3S/c1-4-28-22-12-18(7-8-21(22)29-15-17-6-5-10-24-13-17)23(27)25-14-20(26(2)3)19-9-11-30-16-19/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27)
InChIKeyTZBMZGRCFUDBLN-UHFFFAOYSA-N
XLogP4.15
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.55
LogP ≤ 54.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3-ethoxy-N-[2-oxo-2-(propan-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 30837367
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39270460
4-ethoxy-N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3-methoxybenzohydrazide
CID 30837646
N'-[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]-3,4-dimethoxybenzohydrazide
CID 55576480
1-N,4-N-bis[2-(dimethylamino)-2-thiophen-3-ylethyl]benzene-1,4-dicarboxamide
CID 46592184
N-[[2-(diethylaminomethyl)phenyl]methyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46671493
3-ethoxy-N-(oxolan-2-ylmethyl)-4-(pyridin-3-ylmethoxy)benzamide
CID 46584168
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide
CID 46584040
3-ethoxy-N-[2-oxo-2-(pyridin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 71848488
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]pyrazine-2-carboxamide
CID 43060727
ethyl 3-ethoxy-4-(pyridin-3-ylmethoxy)benzoate
CID 91682643
(2R)-2-[[3-ethoxy-4-(pyridin-3-ylmethoxy)benzoyl]amino]-4-methylpentanoic acid
CID 119363379

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide (CID 46593357) is N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is CCOc1cc(C(=O)NCC(c2ccsc2)N(C)C)ccc1OCc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is TZBMZGRCFUDBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3S/c1-4-28-22-12-18(7-8-21(22)29-15-17-6-5-10-24-13-17)23(27)25-14-20(26(2)3)19-9-11-30-16-19/h5-13,16,20H,4,14-15H2,1-3H3,(H,25,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 425.55 g/mol, XLogP of 4.15, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-3-ylethyl]-3-ethoxy-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 46593357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).