N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide

C21H28N2O3S — CID 4108282

IUPACN-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H28N2O3S/c1-13-10-23(11-14(2)26-13)12-19-15(3)16(4)27-21(19)22-20(24)17-6-8-18(25-5)9-7-17/h6-9,13-14H,10-12H2,1-5H3,(H,22,24)
InChIKeySDQQOTHGDARHHY-UHFFFAOYSA-N
MW388.53 g/mol
LogP4.24
Rot. Bonds5

About N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide

N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide (PubChem CID 4108282) has the molecular formula C21H28N2O3S and a molecular weight of 388.53 g/mol. Its IUPAC name is N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
PubChem CID4108282
Molecular FormulaC21H28N2O3S
Molecular Weight388.53 g/mol
Exact Mass388.18
IUPAC NameN-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide
SMILESCOc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CC(C)OC(C)C2)cc1
InChIInChI=1S/C21H28N2O3S/c1-13-10-23(11-14(2)26-13)12-19-15(3)16(4)27-21(19)22-20(24)17-6-8-18(25-5)9-7-17/h6-9,13-14H,10-12H2,1-5H3,(H,22,24)
InChIKeySDQQOTHGDARHHY-UHFFFAOYSA-N
XLogP4.24
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.53
LogP ≤ 54.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 9902908
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N-[5-ethyl-3-[(4-methoxyphenyl)-oxomethyl]-2-thiophenyl]-2-(4-methyl-1-piperazinyl)acetamide
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N-[2-(3,4-Dimethoxyphenyl)ethyl]-5-(morpholin-4-YL)-4-phenylthiophene-2-carboxamide
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N-(6-acetyl-3-cyano-5,7-dihydro-4H-thieno[2,3-c]pyridin-2-yl)-3-methoxybenzamide
CID 4183341
1-(3-Carbamoyl-5-(4-(2-(piperidin-1-yl)ethoxy)phenyl)thiophen-2-yl)urea
CID 10221890
1-(5-(4-(2-(Diethylamino)ethoxy)phenyl)-3-(piperidin-4-ylcarbamoyl)thiophen-2-yl)urea
CID 11662575
N-[5-ethyl-3-(4-methoxybenzoyl)-2-thienyl]-2-piperidinoacetamide
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CID 903679
2-(3-(4-Methoxyphenyl)acrylamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxamide
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N-{3-[(diethylamino)methyl]-4,5,6,7-tetrahydro-1-benzothien-2-yl}-4-methoxybenzamide
CID 1548290
N-(3-cyano-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophen-2-yl)-4-(3-methylbutoxy)benzamide
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Frequently Asked Questions

What is the IUPAC name of N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The IUPAC name of N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide (CID 4108282) is N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide.
What is the SMILES notation for N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The canonical SMILES for N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide is COc1ccc(C(=O)Nc2sc(C)c(C)c2CN2CC(C)OC(C)C2)cc1.
What is the InChIKey of N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
The InChIKey is SDQQOTHGDARHHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H28N2O3S/c1-13-10-23(11-14(2)26-13)12-19-15(3)16(4)27-21(19)22-20(24)17-6-8-18(25-5)9-7-17/h6-9,13-14H,10-12H2,1-5H3,(H,22,24).
What are the key properties of N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide?
N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide has a molecular weight of 388.53 g/mol, XLogP of 4.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[(2,6-dimethylmorpholin-4-yl)methyl]-4,5-dimethylthiophen-2-yl]-4-methoxybenzamide is sourced from PubChem (CID 4108282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).