3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide

C16H29N3OS — CID 107819531

IUPAC3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
SMILESCCCCC(CC)CNc1cc(N)c(C(=O)NCCC)s1
InChIInChI=1S/C16H29N3OS/c1-4-7-8-12(6-3)11-19-14-10-13(17)15(21-14)16(20)18-9-5-2/h10,12,19H,4-9,11,17H2,1-3H3,(H,18,20)
InChIKeyBZFICXXDFXSGJU-UHFFFAOYSA-N
MW311.50 g/mol
LogP4.10
Rot. Bonds10

About 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide

3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide (PubChem CID 107819531) has the molecular formula C16H29N3OS and a molecular weight of 311.50 g/mol. Its IUPAC name is 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
PubChem CID107819531
Molecular FormulaC16H29N3OS
Molecular Weight311.50 g/mol
Exact Mass311.20
IUPAC Name3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide
SMILESCCCCC(CC)CNc1cc(N)c(C(=O)NCCC)s1
InChIInChI=1S/C16H29N3OS/c1-4-7-8-12(6-3)11-19-14-10-13(17)15(21-14)16(20)18-9-5-2/h10,12,19H,4-9,11,17H2,1-3H3,(H,18,20)
InChIKeyBZFICXXDFXSGJU-UHFFFAOYSA-N
XLogP4.10
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.50
LogP ≤ 54.10
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[3-(diethylamino)propylamino]-N-propylthiophene-2-carboxamide
CID 103425930
3-amino-N-propyl-5-(4,4,4-trifluorobutylamino)thiophene-2-carboxamide
CID 103505955
3-amino-5-methylsulfanyl-N-propylthiophene-2-carboxamide
CID 103526738
4-amino-N-(2-ethylhexyl)-5-methylthiophene-2-carboxamide
CID 107819621
3-amino-5-[2-(5-methyl-1,2,4-oxadiazol-3-yl)ethylamino]-N-propylthiophene-2-carboxamide
CID 106424952
3-amino-5-[(3-methyl-2-pyridinyl)methylamino]-N-propylthiophene-2-carboxamide
CID 103526426
1-[3-amino-5-(propylamino)thiophen-2-yl]propan-1-one
CID 103423162
5-N-(2-ethylhexyl)-1,2-thiazole-3,5-diamine
CID 107819500
2-N,4-N-bis(2-ethylhexyl)-5-N-heptadecyl-1-N-octadecylbenzene-1,2,4,5-tetracarboxamide
CID 146329871
1-N,5-N-didodecyl-2-N,4-N-bis(2-ethylhexyl)benzene-1,2,4,5-tetracarboxamide
CID 122598400
3-amino-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417808
3-amino-5-(3-methylbutylamino)-N-prop-2-enylthiophene-2-carboxamide
CID 103425572

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide (CID 107819531) is 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide is CCCCC(CC)CNc1cc(N)c(C(=O)NCCC)s1.
What is the InChIKey of 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide?
The InChIKey is BZFICXXDFXSGJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3OS/c1-4-7-8-12(6-3)11-19-14-10-13(17)15(21-14)16(20)18-9-5-2/h10,12,19H,4-9,11,17H2,1-3H3,(H,18,20).
What are the key properties of 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide?
3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide has a molecular weight of 311.50 g/mol, XLogP of 4.10, 10 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(2-ethylhexylamino)-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 107819531), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).