5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

C25H37N3O3S — CID 146303450

IUPAC5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)cc1OC
InChIInChI=1S/C25H37N3O3S/c1-4-27(5-2)17-18-31-21-10-9-20(19-22(21)30-3)23-11-12-24(32-23)25(29)26-13-16-28-14-7-6-8-15-28/h9-12,19H,4-8,13-18H2,1-3H3,(H,26,29)
InChIKeyJTODDKKYNFXUSA-UHFFFAOYSA-N
MW459.66 g/mol
LogP4.36
Rot. Bonds12

About 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide

5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (PubChem CID 146303450) has the molecular formula C25H37N3O3S and a molecular weight of 459.66 g/mol. Its IUPAC name is 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.

Molecular Properties

Compound Name5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
PubChem CID146303450
Molecular FormulaC25H37N3O3S
Molecular Weight459.66 g/mol
Exact Mass459.26
IUPAC Name5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
SMILESCCN(CC)CCOc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)cc1OC
InChIInChI=1S/C25H37N3O3S/c1-4-27(5-2)17-18-31-21-10-9-20(19-22(21)30-3)23-11-12-24(32-23)25(29)26-13-16-28-14-7-6-8-15-28/h9-12,19H,4-8,13-18H2,1-3H3,(H,26,29)
InChIKeyJTODDKKYNFXUSA-UHFFFAOYSA-N
XLogP4.36
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500459.66
LogP ≤ 54.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

3,4-dimethoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 25237103
N-[3-(dimethylamino)propyl]-5-[3-methoxy-4-(pyrrolidine-1-carbonyl)phenyl]thiophene-2-carboxamide
CID 177365606
5-[4-[1-(diethylamino)ethoxy]-3-methoxyphenyl]-N-[2-[di(propan-2-yl)amino]ethyl]thiophene-2-carboxamide;hydrochloride
CID 153395369
2-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-4-methyl-1,3-thiazole-5-carboxylic acid
CID 20988996
5-chloro-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 25237516
5-[2-(methylamino)pyrimidin-4-yl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide
CID 59857216
(E)-3-(4-butoxy-3-methoxyphenyl)-N-(2-piperidin-1-ylethyl)prop-2-enamide
CID 52609236
N-[3-(diethylamino)propyl]-3-(3,4-dimethoxyphenyl)-1-methylthieno[3,2-d]pyrazole-5-carboxamide
CID 20856332
3-iodo-4-methoxy-N-(2-piperidin-1-ylethyl)benzamide
CID 10452834
4-butoxy-3-methoxy-N-(2-morpholin-4-ylethyl)benzamide
CID 51159452
5-bromo-N-(2-pyrrolidin-1-ylethyl)thiophene-2-carboxamide
CID 55029116
3-hydroxy-4-methoxy-N-(2-pyrrolidin-1-ylethyl)benzamide
CID 79725500

Frequently Asked Questions

What is the IUPAC name of 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The IUPAC name of 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide (CID 146303450) is 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide.
What is the SMILES notation for 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The canonical SMILES for 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is CCN(CC)CCOc1ccc(-c2ccc(C(=O)NCCN3CCCCC3)s2)cc1OC.
What is the InChIKey of 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
The InChIKey is JTODDKKYNFXUSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H37N3O3S/c1-4-27(5-2)17-18-31-21-10-9-20(19-22(21)30-3)23-11-12-24(32-23)25(29)26-13-16-28-14-7-6-8-15-28/h9-12,19H,4-8,13-18H2,1-3H3,(H,26,29).
What are the key properties of 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide?
5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide has a molecular weight of 459.66 g/mol, XLogP of 4.36, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[2-(diethylamino)ethoxy]-3-methoxyphenyl]-N-(2-piperidin-1-ylethyl)thiophene-2-carboxamide is sourced from PubChem (CID 146303450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).