5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide

C15H18N2O2S — CID 80596349

IUPAC5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCC3CCCCS3)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-11-4-5-13-10(7-11)8-14(19-13)15(18)17-9-12-3-1-2-6-20-12/h4-5,7-8,12H,1-3,6,9,16H2,(H,17,18)
InChIKeyQPNHJCARVPGMPJ-UHFFFAOYSA-N
MW290.39 g/mol
LogP3.03
Rot. Bonds3

About 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide

5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide (PubChem CID 80596349) has the molecular formula C15H18N2O2S and a molecular weight of 290.39 g/mol. Its IUPAC name is 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide.

Molecular Properties

Compound Name5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
PubChem CID80596349
Molecular FormulaC15H18N2O2S
Molecular Weight290.39 g/mol
Exact Mass290.11
IUPAC Name5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide
SMILESNc1ccc2oc(C(=O)NCC3CCCCS3)cc2c1
InChIInChI=1S/C15H18N2O2S/c16-11-4-5-13-10(7-11)8-14(19-13)15(18)17-9-12-3-1-2-6-20-12/h4-5,7-8,12H,1-3,6,9,16H2,(H,17,18)
InChIKeyQPNHJCARVPGMPJ-UHFFFAOYSA-N
XLogP3.03
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.39
LogP ≤ 53.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-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

Related Compounds

5-amino-N-(2-cyclopentylethyl)-1-benzofuran-2-carboxamide
CID 61102723
3-amino-N-(thian-2-ylmethyl)benzamide
CID 80594846
5-amino-N-[(1,1-dioxothiolan-2-yl)methyl]-1-benzofuran-2-carboxamide
CID 81042497
5-amino-2-(dimethylamino)-N-(thiolan-2-ylmethyl)benzamide
CID 80583509
5-amino-N-[2-(oxolan-2-yl)ethyl]-1-benzofuran-2-carboxamide
CID 61127124
5-amino-N-benzyl-1-benzofuran-2-carboxamide
CID 61089712
2,6-dichloro-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80600468
6-hydrazinyl-N-(thian-2-ylmethyl)pyridazine-3-carboxamide
CID 80612211
5-amino-N-[(2S)-2-hydroxypropyl]-1-benzofuran-2-carboxamide
CID 107211116
2-chloro-6-hydrazinyl-N-(thian-2-ylmethyl)pyridine-4-carboxamide
CID 80612695
5-amino-N-(3-methyl-2-propan-2-ylbutyl)-1-benzofuran-2-carboxamide
CID 102903170
5-amino-N-(2,3-dimethylbutyl)-1-benzofuran-2-carboxamide
CID 64571210

Frequently Asked Questions

What is the IUPAC name of 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide?
The IUPAC name of 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide (CID 80596349) is 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide.
What is the SMILES notation for 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide?
The canonical SMILES for 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide is Nc1ccc2oc(C(=O)NCC3CCCCS3)cc2c1.
What is the InChIKey of 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide?
The InChIKey is QPNHJCARVPGMPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2S/c16-11-4-5-13-10(7-11)8-14(19-13)15(18)17-9-12-3-1-2-6-20-12/h4-5,7-8,12H,1-3,6,9,16H2,(H,17,18).
What are the key properties of 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide?
5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide has a molecular weight of 290.39 g/mol, XLogP of 3.03, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-N-(thian-2-ylmethyl)-1-benzofuran-2-carboxamide is sourced from PubChem (CID 80596349), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).