N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide

C19H18N2O6S — CID 33430522

IUPACN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-26-14-6-8-15(9-7-14)28(24,25)21-11-10-20-18(22)16-12-13-4-2-3-5-17(13)27-19(16)23/h2-9,12,21H,10-11H2,1H3,(H,20,22)
InChIKeyBWHVCNQXXCAJSA-UHFFFAOYSA-N
MW402.43 g/mol
LogP1.51
Rot. Bonds7

About N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide

N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide (PubChem CID 33430522) has the molecular formula C19H18N2O6S and a molecular weight of 402.43 g/mol. Its IUPAC name is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide.

Molecular Properties

Compound NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
PubChem CID33430522
Molecular FormulaC19H18N2O6S
Molecular Weight402.43 g/mol
Exact Mass402.09
IUPAC NameN-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide
SMILESCOc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccccc3oc2=O)cc1
InChIInChI=1S/C19H18N2O6S/c1-26-14-6-8-15(9-7-14)28(24,25)21-11-10-20-18(22)16-12-13-4-2-3-5-17(13)27-19(16)23/h2-9,12,21H,10-11H2,1H3,(H,20,22)
InChIKeyBWHVCNQXXCAJSA-UHFFFAOYSA-N
XLogP1.51
TPSA114.71 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.43
LogP ≤ 51.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[4-[(4-methoxyphenyl)sulfamoyl]phenyl]-2-oxochromene-3-carboxamide
CID 1034649
2-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 40718082
N-[(2R)-2-(dimethylamino)-2-(4-methoxyphenyl)ethyl]-2-oxochromene-3-carboxamide
CID 41318549
[2-[2-[(2-oxochromene-3-carbonyl)amino]ethylcarbamoyl]phenyl] acetate
CID 6612133
N-[2-(benzenesulfonamido)ethyl]-2-fluoro-4-methoxybenzamide
CID 86922045
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-5,6-dimethyl-2-oxo-1H-pyridine-3-carboxamide
CID 70752609
N-[2-[3-(4-methoxyphenyl)-6-oxopyridazin-1-yl]ethyl]-2-oxochromene-3-carboxamide
CID 16820327
2-oxo-N-pent-3-ynylchromene-3-carboxamide
CID 115977302
2-oxo-N-[2-[(2,2,2-trifluoroacetyl)amino]ethyl]chromene-3-carboxamide
CID 56742375
6-methoxy-N-(3-methoxypropyl)-2-oxochromene-3-carboxamide
CID 2148152
N-[2-(2-hydroxypropylamino)ethyl]-2-oxochromene-3-carboxamide
CID 104593757
2-chloro-4-fluoro-N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]benzamide
CID 33430634

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide?
The IUPAC name of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide (CID 33430522) is N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide.
What is the SMILES notation for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide?
The canonical SMILES for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide is COc1ccc(S(=O)(=O)NCCNC(=O)c2cc3ccccc3oc2=O)cc1.
What is the InChIKey of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide?
The InChIKey is BWHVCNQXXCAJSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N2O6S/c1-26-14-6-8-15(9-7-14)28(24,25)21-11-10-20-18(22)16-12-13-4-2-3-5-17(13)27-19(16)23/h2-9,12,21H,10-11H2,1H3,(H,20,22).
What are the key properties of N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide?
N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide has a molecular weight of 402.43 g/mol, XLogP of 1.51, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-methoxyphenyl)sulfonylamino]ethyl]-2-oxochromene-3-carboxamide is sourced from PubChem (CID 33430522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).