N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide

C18H26N2O4S — CID 89118476

IUPACN-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(CCCNc1ccc2oc(=O)ccc2c1)CNS(=O)(=O)C(C)C
InChIInChI=1S/C18H26N2O4S/c1-13(2)25(22,23)20-12-14(3)5-4-10-19-16-7-8-17-15(11-16)6-9-18(21)24-17/h6-9,11,13-14,19-20H,4-5,10,12H2,1-3H3
InChIKeyQXZRAQGAECQOLP-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.95
Rot. Bonds9

About N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide

N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide (PubChem CID 89118476) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide.

Molecular Properties

Compound NameN-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide
PubChem CID89118476
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide
SMILESCC(CCCNc1ccc2oc(=O)ccc2c1)CNS(=O)(=O)C(C)C
InChIInChI=1S/C18H26N2O4S/c1-13(2)25(22,23)20-12-14(3)5-4-10-19-16-7-8-17-15(11-16)6-9-18(21)24-17/h6-9,11,13-14,19-20H,4-5,10,12H2,1-3H3
InChIKeyQXZRAQGAECQOLP-UHFFFAOYSA-N
XLogP2.95
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide 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 N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide?
The IUPAC name of N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide (CID 89118476) is N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide.
What is the SMILES notation for N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide?
The canonical SMILES for N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide is CC(CCCNc1ccc2oc(=O)ccc2c1)CNS(=O)(=O)C(C)C.
What is the InChIKey of N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide?
The InChIKey is QXZRAQGAECQOLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-13(2)25(22,23)20-12-14(3)5-4-10-19-16-7-8-17-15(11-16)6-9-18(21)24-17/h6-9,11,13-14,19-20H,4-5,10,12H2,1-3H3.
What are the key properties of N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide?
N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide has a molecular weight of 366.48 g/mol, XLogP of 2.95, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-methyl-5-[(2-oxochromen-6-yl)amino]pentyl]propane-2-sulfonamide is sourced from PubChem (CID 89118476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).