N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide

C20H22N4O2S — CID 119070803

IUPACN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
SMILESCOc1nccnc1-c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C20H22N4O2S/c1-24(2)16(17-5-4-12-27-17)13-23-19(25)15-8-6-14(7-9-15)18-20(26-3)22-11-10-21-18/h4-12,16H,13H2,1-3H3,(H,23,25)
InChIKeyRUHJDQGMZWNYRT-UHFFFAOYSA-N
MW382.49 g/mol
LogP3.25
Rot. Bonds7

About N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide

N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide (PubChem CID 119070803) has the molecular formula C20H22N4O2S and a molecular weight of 382.49 g/mol. Its IUPAC name is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
PubChem CID119070803
Molecular FormulaC20H22N4O2S
Molecular Weight382.49 g/mol
Exact Mass382.15
IUPAC NameN-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide
SMILESCOc1nccnc1-c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1
InChIInChI=1S/C20H22N4O2S/c1-24(2)16(17-5-4-12-27-17)13-23-19(25)15-8-6-14(7-9-15)18-20(26-3)22-11-10-21-18/h4-12,16H,13H2,1-3H3,(H,23,25)
InChIKeyRUHJDQGMZWNYRT-UHFFFAOYSA-N
XLogP3.25
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.49
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]quinoxaline-6-carboxamide
CID 9462806
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-fluoro-4-methoxybenzamide
CID 18161816
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-3-methoxy-4-propoxybenzamide
CID 4876343
N-[(2S)-2-(dimethylamino)-2-thiophen-2-ylethyl]-2,6-dimethoxybenzamide
CID 30834274
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
4-[(carbamoylamino)methyl]-N-[(2R)-2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 51981001
4-(difluoromethylsulfanyl)-N-[2-(dimethylamino)-2-thiophen-2-ylethyl]benzamide
CID 18161921
4-(3-methoxypyrazin-2-yl)-N-[2-[methyl(methylsulfonyl)amino]ethyl]benzamide
CID 119063323
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-methoxy-3-methylsulfonylbenzamide
CID 110621510
tert-butyl N-[4-[[2-(dimethylamino)-2-thiophen-2-ylethyl]carbamoyl]phenyl]carbamate
CID 17467084
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-5-(4-methoxyphenyl)-1,2-oxazole-3-carboxamide
CID 17016099

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide?
The IUPAC name of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide (CID 119070803) is N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide.
What is the SMILES notation for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide?
The canonical SMILES for N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide is COc1nccnc1-c1ccc(C(=O)NCC(c2cccs2)N(C)C)cc1.
What is the InChIKey of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide?
The InChIKey is RUHJDQGMZWNYRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O2S/c1-24(2)16(17-5-4-12-27-17)13-23-19(25)15-8-6-14(7-9-15)18-20(26-3)22-11-10-21-18/h4-12,16H,13H2,1-3H3,(H,23,25).
What are the key properties of N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide?
N-[2-(dimethylamino)-2-thiophen-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide has a molecular weight of 382.49 g/mol, XLogP of 3.25, 7 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-2-ylethyl]-4-(3-methoxypyrazin-2-yl)benzamide is sourced from PubChem (CID 119070803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).