3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide

C15H18N2O5S — CID 134002352

IUPAC3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(N)=O
InChIInChI=1S/C15H18N2O5S/c1-3-9(2)14(15(16)19)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)22-12/h4-9,14,17H,3H2,1-2H3,(H2,16,19)
InChIKeyUQEQECKRRJCEEN-UHFFFAOYSA-N
MW338.39 g/mol
LogP0.97
Rot. Bonds6

About 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide

3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide (PubChem CID 134002352) has the molecular formula C15H18N2O5S and a molecular weight of 338.39 g/mol. Its IUPAC name is 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide.

Molecular Properties

Compound Name3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
PubChem CID134002352
Molecular FormulaC15H18N2O5S
Molecular Weight338.39 g/mol
Exact Mass338.09
IUPAC Name3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide
SMILESCCC(C)C(NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(N)=O
InChIInChI=1S/C15H18N2O5S/c1-3-9(2)14(15(16)19)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)22-12/h4-9,14,17H,3H2,1-2H3,(H2,16,19)
InChIKeyUQEQECKRRJCEEN-UHFFFAOYSA-N
XLogP0.97
TPSA119.47 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(1-methoxypropan-2-yl)-2-oxochromene-6-sulfonamide
CID 134062008
N-(1-aminohexan-2-yl)-2-oxochromene-6-sulfonamide
CID 119992924
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-(3-hydroxybutyl)-2-oxochromene-6-sulfonamide
CID 64910819
2-methyl-N-(2-oxochromen-6-yl)butanamide
CID 47294321
6-(2-oxochromen-6-yl)sulfonylchromen-2-one
CID 15353044
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-[2-(2-methylpropoxy)ethyl]-2-oxochromene-6-sulfonamide
CID 87024847
2-(dibenzofuran-2-ylsulfonylamino)-3-methylpentanoic acid
CID 22394556
3-methyl-2-(naphthalen-2-ylsulfonylamino)butanamide
CID 25040862
N-[1-(3-chlorophenyl)ethyl]-2-oxochromene-6-sulfonamide
CID 134002377
N-[2-(ethylamino)ethyl]-2-oxochromene-6-sulfonamide;hydrochloride
CID 119973429

Frequently Asked Questions

What is the IUPAC name of 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide?
The IUPAC name of 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide (CID 134002352) is 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide.
What is the SMILES notation for 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide?
The canonical SMILES for 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide is CCC(C)C(NS(=O)(=O)c1ccc2oc(=O)ccc2c1)C(N)=O.
What is the InChIKey of 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide?
The InChIKey is UQEQECKRRJCEEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O5S/c1-3-9(2)14(15(16)19)17-23(20,21)11-5-6-12-10(8-11)4-7-13(18)22-12/h4-9,14,17H,3H2,1-2H3,(H2,16,19).
What are the key properties of 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide?
3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide has a molecular weight of 338.39 g/mol, XLogP of 0.97, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-2-[(2-oxochromen-6-yl)sulfonylamino]pentanamide is sourced from PubChem (CID 134002352), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).