5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide

C14H21N3O3S — CID 103508944

IUPAC5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C(=O)NC)CCO1
InChIInChI=1S/C14H21N3O3S/c1-4-9-7-17(5-6-20-9)14-10(13(19)16-3)11(15)12(21-14)8(2)18/h9H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyUPKNDKAEQOQQFV-UHFFFAOYSA-N
MW311.41 g/mol
LogP1.51
Rot. Bonds4

About 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide

5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide (PubChem CID 103508944) has the molecular formula C14H21N3O3S and a molecular weight of 311.41 g/mol. Its IUPAC name is 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide.

Molecular Properties

Compound Name5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
PubChem CID103508944
Molecular FormulaC14H21N3O3S
Molecular Weight311.41 g/mol
Exact Mass311.13
IUPAC Name5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide
SMILESCCC1CN(c2sc(C(C)=O)c(N)c2C(=O)NC)CCO1
InChIInChI=1S/C14H21N3O3S/c1-4-9-7-17(5-6-20-9)14-10(13(19)16-3)11(15)12(21-14)8(2)18/h9H,4-7,15H2,1-3H3,(H,16,19)
InChIKeyUPKNDKAEQOQQFV-UHFFFAOYSA-N
XLogP1.51
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.41
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)thiophene-3-carbonitrile
CID 103508943
1-[3-amino-5-(2-ethylmorpholin-4-yl)-4-methoxythiophen-2-yl]ethanone
CID 103508916
5-acetyl-4-amino-N-methyl-2-(3-propan-2-ylpyrrolidin-1-yl)thiophene-3-carboxamide
CID 103506286
4-amino-N-methyl-2-(1,4-oxazepan-4-yl)-5-propanoylthiophene-3-carboxamide
CID 103421788
[3-amino-5-(2-ethylmorpholin-4-yl)-4-methylsulfanylthiophen-2-yl]-cyclopropylmethanone
CID 103508950
methyl 3-amino-4-(methylcarbamoyl)-5-(3-methylpyrrolidin-1-yl)thiophene-2-carboxylate
CID 103509689
3-amino-2-N,2-N,4-N-trimethyl-5-(3-methylpyrrolidin-1-yl)thiophene-2,4-dicarboxamide
CID 103509806
4-amino-5-(cyclopropanecarbonyl)-N-methyl-2-piperidin-1-ylthiophene-3-carboxamide
CID 103419846
3-amino-4-N-methyl-5-(4-methylpiperazin-1-yl)thiophene-2,4-dicarboxamide
CID 103419370
ethyl 5-acetyl-4-amino-2-(1,4-oxazepan-4-yl)thiophene-3-carboxylate
CID 103421769
methyl 5-acetyl-4-amino-2-(3-hydroxypyrrolidin-1-yl)thiophene-3-carboxylate
CID 103421580
methyl 5-acetyl-4-amino-2-(3,4-dimethylpiperidin-1-yl)thiophene-3-carboxylate
CID 103507212

Frequently Asked Questions

What is the IUPAC name of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide?
The IUPAC name of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide (CID 103508944) is 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide.
What is the SMILES notation for 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide?
The canonical SMILES for 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide is CCC1CN(c2sc(C(C)=O)c(N)c2C(=O)NC)CCO1.
What is the InChIKey of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide?
The InChIKey is UPKNDKAEQOQQFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O3S/c1-4-9-7-17(5-6-20-9)14-10(13(19)16-3)11(15)12(21-14)8(2)18/h9H,4-7,15H2,1-3H3,(H,16,19).
What are the key properties of 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide?
5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide has a molecular weight of 311.41 g/mol, XLogP of 1.51, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-acetyl-4-amino-2-(2-ethylmorpholin-4-yl)-N-methylthiophene-3-carboxamide is sourced from PubChem (CID 103508944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).