3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide

C15H27N3O2S — CID 103421206

IUPAC3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18(6)8-9(2)3/h9-10H,7-8,16H2,1-6H3,(H,17,19)
InChIKeyKBJDFKDMRNIVFQ-UHFFFAOYSA-N
MW313.47 g/mol
LogP2.96
Rot. Bonds7

About 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide

3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide (PubChem CID 103421206) has the molecular formula C15H27N3O2S and a molecular weight of 313.47 g/mol. Its IUPAC name is 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
PubChem CID103421206
Molecular FormulaC15H27N3O2S
Molecular Weight313.47 g/mol
Exact Mass313.18
IUPAC Name3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
SMILESCCNC(=O)c1sc(N(C)CC(C)C)c(OC(C)C)c1N
InChIInChI=1S/C15H27N3O2S/c1-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18(6)8-9(2)3/h9-10H,7-8,16H2,1-6H3,(H,17,19)
InChIKeyKBJDFKDMRNIVFQ-UHFFFAOYSA-N
XLogP2.96
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.47
LogP ≤ 52.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-N-ethyl-5-[methyl(propyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421346
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide
CID 103421207
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103420761
1-[3-amino-4-methoxy-5-[methyl(2-methylpropyl)amino]thiophen-2-yl]propan-1-one
CID 103421218
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
3-amino-4-methoxy-5-[methyl(3-methylbutyl)amino]-N-propylthiophene-2-carboxamide
CID 103417899
1-[3-amino-5-[ethyl(2-methylpropyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420796
1-[3-amino-5-[butyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]propan-1-one
CID 103420387
ethyl 3-amino-5-[cyclopropylmethyl(methyl)amino]-4-propan-2-yloxythiophene-2-carboxylate
CID 103509602
methyl 3-amino-5-(diethylamino)-4-propan-2-yloxythiophene-2-carboxylate
CID 103419158
1-[3-amino-5-[cyclopentylmethyl(methyl)amino]-4-propan-2-yloxythiophen-2-yl]ethanone
CID 103422119

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The IUPAC name of 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide (CID 103421206) is 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide.
What is the SMILES notation for 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The canonical SMILES for 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide is CCNC(=O)c1sc(N(C)CC(C)C)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
The InChIKey is KBJDFKDMRNIVFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H27N3O2S/c1-7-17-14(19)13-11(16)12(20-10(4)5)15(21-13)18(6)8-9(2)3/h9-10H,7-8,16H2,1-6H3,(H,17,19).
What are the key properties of 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide?
3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide has a molecular weight of 313.47 g/mol, XLogP of 2.96, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-ethyl-5-[methyl(2-methylpropyl)amino]-4-propan-2-yloxythiophene-2-carboxamide is sourced from PubChem (CID 103421206), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).