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

C14H25N3OS — CID 103417808

IUPAC3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N(C)CCC(C)C)cc1N
InChIInChI=1S/C14H25N3OS/c1-5-7-16-14(18)13-11(15)9-12(19-13)17(4)8-6-10(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyDTOLLSWYRXHXFQ-UHFFFAOYSA-N
MW283.44 g/mol
LogP2.95
Rot. Bonds7

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

3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide (PubChem CID 103417808) has the molecular formula C14H25N3OS and a molecular weight of 283.44 g/mol. Its IUPAC name is 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
PubChem CID103417808
Molecular FormulaC14H25N3OS
Molecular Weight283.44 g/mol
Exact Mass283.17
IUPAC Name3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(N(C)CCC(C)C)cc1N
InChIInChI=1S/C14H25N3OS/c1-5-7-16-14(18)13-11(15)9-12(19-13)17(4)8-6-10(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,18)
InChIKeyDTOLLSWYRXHXFQ-UHFFFAOYSA-N
XLogP2.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.44
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-amino-5-[methyl(3-methylbutyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103417820
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
3-amino-5-[methyl(pyridin-2-ylmethyl)amino]-N-propylthiophene-2-carboxamide
CID 103509015
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
3-amino-5-[bis(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509837
3-amino-5-[butyl(methyl)amino]thiophene-2-carboxamide
CID 103420375
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738
3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
4-amino-N-ethyl-3-[methyl(3-methylbutyl)amino]benzamide
CID 55190535
1-[3-amino-5-[2-methoxyethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103417679
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
CID 107819531

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide (CID 103417808) is 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(N(C)CCC(C)C)cc1N.
What is the InChIKey of 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
The InChIKey is DTOLLSWYRXHXFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3OS/c1-5-7-16-14(18)13-11(15)9-12(19-13)17(4)8-6-10(2)3/h9-10H,5-8,15H2,1-4H3,(H,16,18).
What are the key properties of 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide?
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide has a molecular weight of 283.44 g/mol, XLogP of 2.95, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103417808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).