N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide

C17H14N2O5S — CID 18524688

IUPACN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C17H14N2O5S/c1-11(20)18-13-3-5-14(6-4-13)19-25(22,23)15-7-8-16-12(10-15)2-9-17(21)24-16/h2-10,19H,1H3,(H,18,20)
InChIKeyKYOSLWBSDBBQFJ-UHFFFAOYSA-N
MW358.38 g/mol
LogP2.55
Rot. Bonds4

About N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide

N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide (PubChem CID 18524688) has the molecular formula C17H14N2O5S and a molecular weight of 358.38 g/mol. Its IUPAC name is N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
PubChem CID18524688
Molecular FormulaC17H14N2O5S
Molecular Weight358.38 g/mol
Exact Mass358.06
IUPAC NameN-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1
InChIInChI=1S/C17H14N2O5S/c1-11(20)18-13-3-5-14(6-4-13)19-25(22,23)15-7-8-16-12(10-15)2-9-17(21)24-16/h2-10,19H,1H3,(H,18,20)
InChIKeyKYOSLWBSDBBQFJ-UHFFFAOYSA-N
XLogP2.55
TPSA105.48 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.38
LogP ≤ 52.55
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-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]cyclopropanecarboxamide
CID 134040472
4-methyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 10425832
5-[(4-methoxyphenyl)sulfamoyl]-2-methyl-N-(2-oxochromen-6-yl)benzamide
CID 55978421
N-methyl-3-[(2-oxochromen-6-yl)sulfonylamino]benzamide
CID 134040442
N-methyl-2-oxochromene-6-sulfonamide
CID 43245047
N-[2-[(2-oxochromen-6-yl)sulfonylamino]ethyl]acetamide
CID 134002341
N-[4-bromo-3-(trifluoromethyl)phenyl]-2-oxochromene-6-sulfonamide
CID 30713382
(2-oxochromen-6-yl)carbamic acid
CID 18427920
2,3,5,6-tetramethyl-N-(2-oxochromen-6-yl)benzenesulfonamide
CID 60578994
N-[4-[(2-tert-butyl-1,3-benzoxazol-5-yl)sulfamoyl]phenyl]acetamide
CID 39343485
N-[6-[(4-methylphenyl)sulfonylamino]-2-oxochromen-3-yl]acetamide
CID 2798637
methyl 3-[(2-oxochromen-6-yl)sulfonylamino]thiophene-2-carboxylate
CID 30713838

Frequently Asked Questions

What is the IUPAC name of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide?
The IUPAC name of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide (CID 18524688) is N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide.
What is the SMILES notation for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide?
The canonical SMILES for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide is CC(=O)Nc1ccc(NS(=O)(=O)c2ccc3oc(=O)ccc3c2)cc1.
What is the InChIKey of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide?
The InChIKey is KYOSLWBSDBBQFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N2O5S/c1-11(20)18-13-3-5-14(6-4-13)19-25(22,23)15-7-8-16-12(10-15)2-9-17(21)24-16/h2-10,19H,1H3,(H,18,20).
What are the key properties of N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide?
N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide has a molecular weight of 358.38 g/mol, XLogP of 2.55, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(2-oxochromen-6-yl)sulfonylamino]phenyl]acetamide is sourced from PubChem (CID 18524688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).