N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

C23H27N3O2S — CID 55691583

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H27N3O2S/c1-16-11-19(12-17(2)22(16)28-15-18-7-5-9-24-13-18)23(27)25-14-20(26(3)4)21-8-6-10-29-21/h5-13,20H,14-15H2,1-4H3,(H,25,27)
InChIKeyDJRYVNXNKLVQER-UHFFFAOYSA-N
MW409.56 g/mol
LogP4.37
Rot. Bonds8

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (PubChem CID 55691583) has the molecular formula C23H27N3O2S and a molecular weight of 409.56 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
PubChem CID55691583
Molecular FormulaC23H27N3O2S
Molecular Weight409.56 g/mol
Exact Mass409.18
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
SMILESCc1cc(C(=O)NCC(c2cccs2)N(C)C)cc(C)c1OCc1cccnc1
InChIInChI=1S/C23H27N3O2S/c1-16-11-19(12-17(2)22(16)28-15-18-7-5-9-24-13-18)23(27)25-14-20(26(3)4)21-8-6-10-29-21/h5-13,20H,14-15H2,1-4H3,(H,25,27)
InChIKeyDJRYVNXNKLVQER-UHFFFAOYSA-N
XLogP4.37
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.56
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(dimethylamino)-2-(4-fluorophenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55949228
2-[[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]amino]methyl]-4-methylpentanoic acid
CID 120528545
N,3,5-trimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 166187994
3,5-dimethyl-N-[2-(methylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 119503562
N-[2-hydroxy-2-(4-methoxyphenyl)ethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 55690776
N'-[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]pyridine-3-carbohydrazide
CID 39716937
3,5-dimethyl-N-[[4-[methyl(propan-2-yl)carbamoyl]phenyl]methyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 55691089
1-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(pyridin-3-ylmethyl)urea
CID 94017013
N-[3-[4-(dimethylamino)phenyl]propyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide
CID 46453709
3-[[3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzoyl]-methylamino]-2-methylpropanoic acid
CID 120524284
3,5-dimethyl-N-[2-(pyrazin-2-ylamino)ethyl]-4-(pyridin-3-ylmethoxy)benzamide
CID 47031577
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide (CID 55691583) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is Cc1cc(C(=O)NCC(c2cccs2)N(C)C)cc(C)c1OCc1cccnc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
The InChIKey is DJRYVNXNKLVQER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O2S/c1-16-11-19(12-17(2)22(16)28-15-18-7-5-9-24-13-18)23(27)25-14-20(26(3)4)21-8-6-10-29-21/h5-13,20H,14-15H2,1-4H3,(H,25,27).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide has a molecular weight of 409.56 g/mol, XLogP of 4.37, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3,5-dimethyl-4-(pyridin-3-ylmethoxy)benzamide is sourced from PubChem (CID 55691583), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).