3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide

C15H27N3O2S — CID 103417899

IUPAC3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N(C)CCC(C)C)c(OC)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-8-17-14(19)13-11(16)12(20-5)15(21-13)18(4)9-7-10(2)3/h10H,6-9,16H2,1-5H3,(H,17,19)
InChIKeyWENBUYRKNIWNOS-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.96
Rot. Bonds8

About 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide

3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide (PubChem CID 103417899) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
PubChem CID103417899
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N(C)CCC(C)C)c(OC)c1N
InChIInChI=1S/C15H27N3O2S/c1-6-8-17-14(19)13-11(16)12(20-5)15(21-13)18(4)9-7-10(2)3/h10H,6-9,16H2,1-5H3,(H,17,19)
InChIKeyWENBUYRKNIWNOS-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
CID 103420443
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417808
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421206
1-[3-amino-4-methoxy-5-[methyl(2-methylpropyl)amino]thiophen-2-yl]propan-1-one
CID 103421218
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
methyl 3-amino-5-[methyl(3-methylbutyl)amino]-4-methylsulfonylthiophene-2-carboxylate
CID 103417847
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide (CID 103417899) is 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N(C)CCC(C)C)c(OC)c1N.
What is the InChIKey of 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The InChIKey is WENBUYRKNIWNOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-6-8-17-14(19)13-11(16)12(20-5)15(21-13)18(4)9-7-10(2)3/h10H,6-9,16H2,1-5H3,(H,17,19).
What are the key properties of 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 2.96, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103417899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).