3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide

C13H22N2O2S2 — CID 103417474

IUPAC3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(SCC)c(OC(C)C)c1N
InChIInChI=1S/C13H22N2O2S2/c1-5-7-15-12(16)11-9(14)10(17-8(3)4)13(19-11)18-6-2/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyKFDYLHDDKBUCKS-UHFFFAOYSA-N
MW302.47 g/mol
LogP3.37
Rot. Bonds7

About 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide

3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (PubChem CID 103417474) has the molecular formula C13H22N2O2S2 and a molecular weight of 302.47 g/mol. Its IUPAC name is 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
PubChem CID103417474
Molecular FormulaC13H22N2O2S2
Molecular Weight302.47 g/mol
Exact Mass302.11
IUPAC Name3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(SCC)c(OC(C)C)c1N
InChIInChI=1S/C13H22N2O2S2/c1-5-7-15-12(16)11-9(14)10(17-8(3)4)13(19-11)18-6-2/h8H,5-7,14H2,1-4H3,(H,15,16)
InChIKeyKFDYLHDDKBUCKS-UHFFFAOYSA-N
XLogP3.37
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.47
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-prop-2-enylthiophene-2-carboxamide
CID 103417496
3-amino-5-(cyclopropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423712
3-amino-5-(2-methylpropylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423850
3-amino-5-(2-methoxyethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103423425
3-amino-5-ethylsulfanyl-2-N-propylthiophene-2,4-dicarboxamide
CID 103417444
3-amino-5-(2,2-difluoroethylamino)-4-propan-2-yloxy-N-propylthiophene-2-carboxamide
CID 103505749
3-amino-N-methyl-5-methylsulfanyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103526749
3-amino-5-(butylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103425282
methyl 3-amino-5-ethylsulfanyl-4-methoxythiophene-2-carboxylate
CID 103417502
3-amino-4-methoxy-5-(3-methylbutan-2-ylamino)-N-propylthiophene-2-carboxamide
CID 103426950
3-amino-5-(diethylamino)-N-ethyl-4-propan-2-yloxythiophene-2-carboxamide
CID 103419241
3-amino-N-cyclopropyl-4-propan-2-yloxy-5-(propylamino)thiophene-2-carboxamide
CID 103423115

Frequently Asked Questions

What is the IUPAC name of 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide (CID 103417474) is 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(SCC)c(OC(C)C)c1N.
What is the InChIKey of 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
The InChIKey is KFDYLHDDKBUCKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2S2/c1-5-7-15-12(16)11-9(14)10(17-8(3)4)13(19-11)18-6-2/h8H,5-7,14H2,1-4H3,(H,15,16).
What are the key properties of 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide?
3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide has a molecular weight of 302.47 g/mol, XLogP of 3.37, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-ethylsulfanyl-4-propan-2-yloxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103417474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).