2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide

C20H20N2O5S2 — CID 20973227

IUPAC2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H20N2O5S2/c23-19(16-12-14-6-2-3-7-17(14)27-20(16)24)21-13-15-8-9-18(28-15)29(25,26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,23)
InChIKeyJPUUFLINGLXYSB-UHFFFAOYSA-N
MW432.52 g/mol
LogP2.96
Rot. Bonds5

About 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide

2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide (PubChem CID 20973227) has the molecular formula C20H20N2O5S2 and a molecular weight of 432.52 g/mol. Its IUPAC name is 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide.

Molecular Properties

Compound Name2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
PubChem CID20973227
Molecular FormulaC20H20N2O5S2
Molecular Weight432.52 g/mol
Exact Mass432.08
IUPAC Name2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide
SMILESO=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc2ccccc2oc1=O
InChIInChI=1S/C20H20N2O5S2/c23-19(16-12-14-6-2-3-7-17(14)27-20(16)24)21-13-15-8-9-18(28-15)29(25,26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,23)
InChIKeyJPUUFLINGLXYSB-UHFFFAOYSA-N
XLogP2.96
TPSA96.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.52
LogP ≤ 52.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-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

N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2-bromobenzamide
CID 53112446
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 17440789
2-naphthalen-1-yl-N-[2-oxo-2-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methylamino]ethyl]acetamide
CID 16602108
N-[3-(azepan-1-ylsulfonyl)phenyl]-2-oxochromene-3-carboxamide
CID 3566147
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]furan-3-carboxamide
CID 17424428
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-2,4-dimethoxybenzamide
CID 53112412
N-[[5-(azepan-1-ylsulfonyl)thiophen-2-yl]methyl]-4-cyanobenzamide
CID 53112426
N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]-4-(trifluoromethyl)benzamide
CID 26061202
2-oxo-N-[[5-(thiophene-2-carbonyl)thiophen-2-yl]methyl]chromene-3-carboxamide
CID 121131705
3-acetamido-2-methyl-N-[(5-pyrrolidin-1-ylsulfonylthiophen-2-yl)methyl]benzamide
CID 53112317
N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]-1,3-benzodioxole-5-carboxamide
CID 17481811
N-(3-methoxy-4-piperidin-1-ylsulfonylphenyl)-2-oxochromene-3-carboxamide
CID 23969465

Frequently Asked Questions

What is the IUPAC name of 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide?
The IUPAC name of 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide (CID 20973227) is 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide.
What is the SMILES notation for 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide?
The canonical SMILES for 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide is O=C(NCc1ccc(S(=O)(=O)N2CCCCC2)s1)c1cc2ccccc2oc1=O.
What is the InChIKey of 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide?
The InChIKey is JPUUFLINGLXYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O5S2/c23-19(16-12-14-6-2-3-7-17(14)27-20(16)24)21-13-15-8-9-18(28-15)29(25,26)22-10-4-1-5-11-22/h2-3,6-9,12H,1,4-5,10-11,13H2,(H,21,23).
What are the key properties of 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide?
2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide has a molecular weight of 432.52 g/mol, XLogP of 2.96, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-oxo-N-[(5-piperidin-1-ylsulfonylthiophen-2-yl)methyl]chromene-3-carboxamide is sourced from PubChem (CID 20973227), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).