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

C14H25N3O2S — CID 103420443

IUPAC3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCCN(C)c1sc(C(=O)NCCC)c(N)c1OC
InChIInChI=1S/C14H25N3O2S/c1-5-7-9-17(3)14-11(19-4)10(15)12(20-14)13(18)16-8-6-2/h5-9,15H2,1-4H3,(H,16,18)
InChIKeyNZFCDOQDLPGJMR-UHFFFAOYSA-N
MW299.44 g/mol
LogP2.71
Rot. Bonds8

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

3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide (PubChem CID 103420443) has the molecular formula C14H25N3O2S and a molecular weight of 299.44 g/mol. Its IUPAC name is 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
PubChem CID103420443
Molecular FormulaC14H25N3O2S
Molecular Weight299.44 g/mol
Exact Mass299.17
IUPAC Name3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCCN(C)c1sc(C(=O)NCCC)c(N)c1OC
InChIInChI=1S/C14H25N3O2S/c1-5-7-9-17(3)14-11(19-4)10(15)12(20-14)13(18)16-8-6-2/h5-9,15H2,1-4H3,(H,16,18)
InChIKeyNZFCDOQDLPGJMR-UHFFFAOYSA-N
XLogP2.71
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.44
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
3-amino-4-methoxy-5-[methyl(propyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103421284
3-amino-4-methoxy-5-[2-methoxyethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103417708
methyl 3-amino-5-[butyl(ethyl)amino]-4-methoxythiophene-2-carboxylate
CID 103420554
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
methyl 5-acetyl-4-amino-2-[butyl(methyl)amino]thiophene-3-carboxylate
CID 103420356
3-amino-4-methoxy-5-(prop-2-enylamino)-N-propylthiophene-2-carboxamide
CID 103510135
3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103424004
1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420387
3-amino-5-(cyclohexylamino)-4-methoxy-N-propylthiophene-2-carboxamide
CID 103423046
4-O-ethyl 2-O-methyl 3-amino-5-[butyl(methyl)amino]thiophene-2,4-dicarboxylate
CID 103420391

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide (CID 103420443) is 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide is CCCCN(C)c1sc(C(=O)NCCC)c(N)c1OC.
What is the InChIKey of 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide?
The InChIKey is NZFCDOQDLPGJMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O2S/c1-5-7-9-17(3)14-11(19-4)10(15)12(20-14)13(18)16-8-6-2/h5-9,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide?
3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide has a molecular weight of 299.44 g/mol, XLogP of 2.71, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[butyl(methyl)amino]-4-methoxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103420443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).