3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide

C14H23N3O2S — CID 103424004

IUPAC3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CCCC2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-3-8-16-13(18)12-10(15)11(19-2)14(20-12)17-9-6-4-5-7-9/h9,17H,3-8,15H2,1-2H3,(H,16,18)
InChIKeyUOOUVFCPPVZLKH-UHFFFAOYSA-N
MW297.42 g/mol
LogP2.83
Rot. Bonds6

About 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide

3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide (PubChem CID 103424004) has the molecular formula C14H23N3O2S and a molecular weight of 297.42 g/mol. Its IUPAC name is 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide.

Molecular Properties

Compound Name3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
PubChem CID103424004
Molecular FormulaC14H23N3O2S
Molecular Weight297.42 g/mol
Exact Mass297.15
IUPAC Name3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide
SMILESCCCNC(=O)c1sc(NC2CCCC2)c(OC)c1N
InChIInChI=1S/C14H23N3O2S/c1-3-8-16-13(18)12-10(15)11(19-2)14(20-12)17-9-6-4-5-7-9/h9,17H,3-8,15H2,1-2H3,(H,16,18)
InChIKeyUOOUVFCPPVZLKH-UHFFFAOYSA-N
XLogP2.83
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.42
LogP ≤ 52.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The IUPAC name of 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide (CID 103424004) is 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide.
What is the SMILES notation for 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The canonical SMILES for 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide is CCCNC(=O)c1sc(NC2CCCC2)c(OC)c1N.
What is the InChIKey of 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
The InChIKey is UOOUVFCPPVZLKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O2S/c1-3-8-16-13(18)12-10(15)11(19-2)14(20-12)17-9-6-4-5-7-9/h9,17H,3-8,15H2,1-2H3,(H,16,18).
What are the key properties of 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide?
3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide has a molecular weight of 297.42 g/mol, XLogP of 2.83, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-5-(cyclopentylamino)-4-methoxy-N-propylthiophene-2-carboxamide is sourced from PubChem (CID 103424004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).