3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide

C14H25N3O2S — CID 103426950

IUPAC3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC(C)C(C)C)c(OC)c1N
InChIInChI=1S/C14H25N3O2S/c1-6-7-16-13(18)12-10(15)11(19-5)14(20-12)17-9(4)8(2)3/h8-9,17H,6-7,15H2,1-5H3,(H,16,18)
InChIKeyYQFZBYZQQIJTNC-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.94
Rot. Bonds7

About 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide

3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide (PubChem CID 103426950) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
PubChem CID103426950
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC(C)C(C)C)c(OC)c1N
InChIInChI=1S/C14H25N3O2S/c1-6-7-16-13(18)12-10(15)11(19-5)14(20-12)17-9(4)8(2)3/h8-9,17H,6-7,15H2,1-5H3,(H,16,18)
InChIKeyYQFZBYZQQIJTNC-UHFFFAOYSA-N
XLogP2.94
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-4-methoxy-5-(2-methylsulfonylethylamino)-N-propylthiophene-2-carboxamide
CID 103432325
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
1-[3-amino-4-methoxy-5-(propan-2-ylamino)thiophen-2-yl]ethanone
CID 103423278
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
1-[3-amino-4-methoxy-5-(pentan-3-ylamino)thiophen-2-yl]ethanone
CID 103424099

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide (CID 103426950) is 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NC(C)C(C)C)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is YQFZBYZQQIJTNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-6-7-16-13(18)12-10(15)11(19-5)14(20-12)17-9(4)8(2)3/h8-9,17H,6-7,15H2,1-5H3,(H,16,18).
What are the key properties of 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide?
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 2.94, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103426950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).