5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide

C14H16ClNO3S — CID 71804525

IUPAC5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESCc1cc(C(O)CCNC(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C14H16ClNO3S/c1-8-7-10(9(2)19-8)11(17)5-6-16-14(18)12-3-4-13(15)20-12/h3-4,7,11,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyQKIZLPALJVUQEO-UHFFFAOYSA-N
MW313.81 g/mol
LogP3.46
Rot. Bonds5

About 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide

5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide (PubChem CID 71804525) has the molecular formula C14H16ClNO3S and a molecular weight of 313.81 g/mol. Its IUPAC name is 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
PubChem CID71804525
Molecular FormulaC14H16ClNO3S
Molecular Weight313.81 g/mol
Exact Mass313.05
IUPAC Name5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide
SMILESCc1cc(C(O)CCNC(=O)c2ccc(Cl)s2)c(C)o1
InChIInChI=1S/C14H16ClNO3S/c1-8-7-10(9(2)19-8)11(17)5-6-16-14(18)12-3-4-13(15)20-12/h3-4,7,11,17H,5-6H2,1-2H3,(H,16,18)
InChIKeyQKIZLPALJVUQEO-UHFFFAOYSA-N
XLogP3.46
TPSA62.47 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.81
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The IUPAC name of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide (CID 71804525) is 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The canonical SMILES for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide is Cc1cc(C(O)CCNC(=O)c2ccc(Cl)s2)c(C)o1.
What is the InChIKey of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
The InChIKey is QKIZLPALJVUQEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16ClNO3S/c1-8-7-10(9(2)19-8)11(17)5-6-16-14(18)12-3-4-13(15)20-12/h3-4,7,11,17H,5-6H2,1-2H3,(H,16,18).
What are the key properties of 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide?
5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide has a molecular weight of 313.81 g/mol, XLogP of 3.46, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-N-[3-(2,5-dimethylfuran-3-yl)-3-hydroxypropyl]thiophene-2-carboxamide is sourced from PubChem (CID 71804525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).