N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide

C22H25N3O2S — CID 55719688

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C22H25N3O2S/c1-25(2)20(21-9-6-14-28-21)15-23-22(26)18-7-4-5-8-19(18)24-16-10-12-17(27-3)13-11-16/h4-14,20,24H,15H2,1-3H3,(H,23,26)
InChIKeyUTRLSPFHOQYGPS-UHFFFAOYSA-N
MW395.53 g/mol
LogP4.53
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide (PubChem CID 55719688) has the molecular formula C22H25N3O2S and a molecular weight of 395.53 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
PubChem CID55719688
Molecular FormulaC22H25N3O2S
Molecular Weight395.53 g/mol
Exact Mass395.17
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide
SMILESCOc1ccc(Nc2ccccc2C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C22H25N3O2S/c1-25(2)20(21-9-6-14-28-21)15-23-22(26)18-7-4-5-8-19(18)24-16-10-12-17(27-3)13-11-16/h4-14,20,24H,15H2,1-3H3,(H,23,26)
InChIKeyUTRLSPFHOQYGPS-UHFFFAOYSA-N
XLogP4.53
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.53
LogP ≤ 54.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-bromo-N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 8504392
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-fluorobenzamide
CID 18161749
5-chloro-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2-methoxybenzamide
CID 2532293
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-propan-2-ylsulfanylbenzamide
CID 78772713
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
N-[2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-hydroxybenzamide
CID 3951994
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099
2-(4-methoxyanilino)-N-[3-(methylamino)propyl]benzamide
CID 119430354
(2S)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(6-methoxynaphthalen-2-yl)propanamide
CID 18161802
4-benzamido-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 42942787
4-benzamido-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 25466127
N-(2-hydroxy-2-methylpropyl)-2-(4-methoxyanilino)-N-methylbenzamide
CID 111663042

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide (CID 55719688) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide is COc1ccc(Nc2ccccc2C(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide?
The InChIKey is UTRLSPFHOQYGPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O2S/c1-25(2)20(21-9-6-14-28-21)15-23-22(26)18-7-4-5-8-19(18)24-16-10-12-17(27-3)13-11-16/h4-14,20,24H,15H2,1-3H3,(H,23,26).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide has a molecular weight of 395.53 g/mol, XLogP of 4.53, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-2-(4-methoxyanilino)benzamide is sourced from PubChem (CID 55719688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).