3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide

C14H23N3OS — CID 107403346

IUPAC3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC2CCC2)cc1N
InChIInChI=1S/C14H23N3OS/c1-3-16-14(18)13-11(15)8-12(19-13)17(4-2)9-10-6-5-7-10/h8,10H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyXRQCQCIHGFMACQ-UHFFFAOYSA-N
MW281.43 g/mol
LogP2.71
Rot. Bonds6

About 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide

3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide (PubChem CID 107403346) has the molecular formula C14H23N3OS and a molecular weight of 281.43 g/mol. Its IUPAC name is 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
PubChem CID107403346
Molecular FormulaC14H23N3OS
Molecular Weight281.43 g/mol
Exact Mass281.16
IUPAC Name3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC2CCC2)cc1N
InChIInChI=1S/C14H23N3OS/c1-3-16-14(18)13-11(15)8-12(19-13)17(4-2)9-10-6-5-7-10/h8,10H,3-7,9,15H2,1-2H3,(H,16,18)
InChIKeyXRQCQCIHGFMACQ-UHFFFAOYSA-N
XLogP2.71
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.43
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[cyclohexylmethyl(methyl)amino]-N-ethylthiophene-2-carboxamide
CID 103417956
3-amino-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422442
3-amino-4-[cyclopropylmethyl(ethyl)amino]-N-ethylbenzamide
CID 82999772
3-amino-5-[cyclopentylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103422110
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103509542
3-amino-5-[cyclopropylmethyl(methyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103509596
4-amino-3-[cyclobutylmethyl(ethyl)amino]-N-methylbenzamide
CID 107397106
1-[3-amino-5-(diethylamino)thiophen-2-yl]propan-1-one
CID 103419253
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]thiophen-2-yl]ethanone
CID 103422109
3-amino-N-ethyl-5-[methyl(3,3,3-trifluoropropyl)amino]thiophene-2-carboxamide
CID 103422849
3-amino-5-[cyclobutylmethyl(ethyl)amino]-4-methylsulfanylthiophene-2-carboxamide
CID 107403343
3-amino-N-methyl-5-[methyl(oxan-3-ylmethyl)amino]thiophene-2-carboxamide
CID 103422316

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide (CID 107403346) is 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide is CCNC(=O)c1sc(N(CC)CC2CCC2)cc1N.
What is the InChIKey of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide?
The InChIKey is XRQCQCIHGFMACQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3OS/c1-3-16-14(18)13-11(15)8-12(19-13)17(4-2)9-10-6-5-7-10/h8,10H,3-7,9,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide?
3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide has a molecular weight of 281.43 g/mol, XLogP of 2.71, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-[cyclobutylmethyl(ethyl)amino]-N-ethylthiophene-2-carboxamide is sourced from PubChem (CID 107403346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).