N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide

C22H25N3OS — CID 125159526

IUPACN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)c1
InChIInChI=1S/C22H25N3OS/c1-15-11-16(2)24-19(12-15)17-7-5-8-18(13-17)22(26)23-14-20(25(3)4)21-9-6-10-27-21/h5-13,20H,14H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyQQNOWKRAUXZJKT-HXUWFJFHSA-N
MW379.53 g/mol
LogP4.46
Rot. Bonds6

About N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide (PubChem CID 125159526) has the molecular formula C22H25N3OS and a molecular weight of 379.53 g/mol. Its IUPAC name is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide.

Molecular Properties

Compound NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
PubChem CID125159526
Molecular FormulaC22H25N3OS
Molecular Weight379.53 g/mol
Exact Mass379.17
IUPAC NameN-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide
SMILESCc1cc(C)nc(-c2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)c1
InChIInChI=1S/C22H25N3OS/c1-15-11-16(2)24-19(12-15)17-7-5-8-18(13-17)22(26)23-14-20(25(3)4)21-9-6-10-27-21/h5-13,20H,14H2,1-4H3,(H,23,26)/t20-/m1/s1
InChIKeyQQNOWKRAUXZJKT-HXUWFJFHSA-N
XLogP4.46
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.53
LogP ≤ 54.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-iodobenzamide
CID 8504424
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
3-(4,6-dimethyl-2-pyridinyl)-N-[2-(hydroxymethyl)-3-thiophen-3-ylpropyl]benzamide
CID 118789146
3-(2-amino-2-oxoethoxy)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 134048537
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-fluoro-3-methylbenzamide
CID 63213496
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methylbenzamide
CID 18161860
N-[2-(diethylamino)-2-thiophen-2-ylethyl]-3-methylbenzamide
CID 112503925
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(methanesulfonamido)benzamide
CID 51647882
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3,5-dimethylpyrazol-1-yl)benzamide
CID 4782773
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,4-dimethyl-1,3-thiazole-5-carboxamide
CID 93482434
2-(3-chlorophenyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 24640711
3-bromo-4-chloro-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 103841422

Frequently Asked Questions

What is the IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide?
The IUPAC name of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide (CID 125159526) is N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide.
What is the SMILES notation for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide?
The canonical SMILES for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide is Cc1cc(C)nc(-c2cccc(C(=O)NC[C@H](c3cccs3)N(C)C)c2)c1.
What is the InChIKey of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide?
The InChIKey is QQNOWKRAUXZJKT-HXUWFJFHSA-N. The full InChI is InChI=1S/C22H25N3OS/c1-15-11-16(2)24-19(12-15)17-7-5-8-18(13-17)22(26)23-14-20(25(3)4)21-9-6-10-27-21/h5-13,20H,14H2,1-4H3,(H,23,26)/t20-/m1/s1.
What are the key properties of N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide?
N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide has a molecular weight of 379.53 g/mol, XLogP of 4.46, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]-3-(4,6-dimethyl-2-pyridinyl)benzamide is sourced from PubChem (CID 125159526), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).