3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide

C12H21N3O3S — CID 103417671

IUPAC3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(CCOC)CCOC)cc1N
InChIInChI=1S/C12H21N3O3S/c1-14-12(16)11-9(13)8-10(19-11)15(4-6-17-2)5-7-18-3/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyMWRDVVVXVGUFSX-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.79
Rot. Bonds8

About 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide

3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide (PubChem CID 103417671) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide
PubChem CID103417671
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide
SMILESCNC(=O)c1sc(N(CCOC)CCOC)cc1N
InChIInChI=1S/C12H21N3O3S/c1-14-12(16)11-9(13)8-10(19-11)15(4-6-17-2)5-7-18-3/h8H,4-7,13H2,1-3H3,(H,14,16)
InChIKeyMWRDVVVXVGUFSX-UHFFFAOYSA-N
XLogP0.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[3-amino-5-[ethyl(2-methoxyethyl)amino]thiophen-2-yl]ethanone
CID 103526582
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-N-methyl-5-[methyl(pyridin-4-ylmethyl)amino]thiophene-2-carboxamide
CID 103509283
4-amino-3-[2-methoxyethyl(2-methylpropyl)amino]-N-methylbenzamide
CID 63357003
3-amino-5-[ethyl(2-methoxyethyl)amino]-N-methyl-4-methylsulfonylthiophene-2-carboxamide
CID 103526538
3-amino-5-[(3-fluorophenyl)methyl-methylamino]-N-methylthiophene-2-carboxamide
CID 103420742
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
ethyl 3-amino-5-[ethyl(propyl)amino]thiophene-2-carboxylate
CID 103421088
4-amino-3-[bis(2-methoxyethyl)amino]benzoic acid
CID 82785312
3-amino-N-methyl-5-(pentan-3-ylamino)thiophene-2-carboxamide
CID 103424129

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide (CID 103417671) is 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide is CNC(=O)c1sc(N(CCOC)CCOC)cc1N.
What is the InChIKey of 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide?
The InChIKey is MWRDVVVXVGUFSX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-14-12(16)11-9(13)8-10(19-11)15(4-6-17-2)5-7-18-3/h8H,4-7,13H2,1-3H3,(H,14,16).
What are the key properties of 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide?
3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide has a molecular weight of 287.38 g/mol, XLogP of 0.79, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[bis(2-methoxyethyl)amino]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 103417671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).