3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide

C16H27N3OS — CID 103420839

IUPAC3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC(C)C)c(C2CC2)c1N
InChIInChI=1S/C16H27N3OS/c1-5-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19(6-2)9-10(3)4/h10-11H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyHTUDQUPYVBSMTJ-UHFFFAOYSA-N
MW309.48 g/mol
LogP3.44
Rot. Bonds7

About 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide

3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide (PubChem CID 103420839) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
PubChem CID103420839
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(CC)CC(C)C)c(C2CC2)c1N
InChIInChI=1S/C16H27N3OS/c1-5-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19(6-2)9-10(3)4/h10-11H,5-9,17H2,1-4H3,(H,18,20)
InChIKeyHTUDQUPYVBSMTJ-UHFFFAOYSA-N
XLogP3.44
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 53.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 3-amino-4-cyclopropyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxylate
CID 103420777
3-amino-4-cyclopropyl-N-ethyl-5-[2-methoxyethyl(methyl)amino]thiophene-2-carboxamide
CID 103417786
3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophene-2-carboxamide
CID 103422409
3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]-N-methylthiophene-2-carboxamide
CID 103420939
1-[3-amino-4-cyclopropyl-5-(dipropylamino)thiophen-2-yl]-2-methylpropan-1-one
CID 103419964
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-4-cyclopropyl-N-ethyl-5-(propylamino)thiophene-2-carboxamide
CID 103423180
3-amino-4-cyano-5-[ethyl(2-methylpropyl)amino]-N-prop-2-enylthiophene-2-carboxamide
CID 103420799
1-[3-amino-4-cyclopropyl-5-[ethyl(methyl)amino]thiophen-2-yl]-2-methylpropan-1-one
CID 103420898
3-amino-4-cyclopropyl-N,N-dimethyl-5-[methyl(3-methylbutyl)amino]thiophene-2-carboxamide
CID 103417843
[3-amino-4-cyclopropyl-5-[cyclopropylmethyl(ethyl)amino]thiophen-2-yl]-cyclopropylmethanone
CID 103422444
3-amino-5-(azepan-1-yl)-4-cyclopropyl-N-ethylthiophene-2-carboxamide
CID 103419645

Frequently Asked Questions

What is the IUPAC name of 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide?
The IUPAC name of 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide (CID 103420839) is 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide.
What is the SMILES notation for 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide?
The canonical SMILES for 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide is CCNC(=O)c1sc(N(CC)CC(C)C)c(C2CC2)c1N.
What is the InChIKey of 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide?
The InChIKey is HTUDQUPYVBSMTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-5-18-15(20)14-13(17)12(11-7-8-11)16(21-14)19(6-2)9-10(3)4/h10-11H,5-9,17H2,1-4H3,(H,18,20).
What are the key properties of 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide?
3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 3.44, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-4-cyclopropyl-N-ethyl-5-[ethyl(2-methylpropyl)amino]thiophene-2-carboxamide is sourced from PubChem (CID 103420839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).