N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

C20H20N2O4S — CID 50778788

IUPACN-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCNc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(=O)oc2ccccc12
InChIInChI=1S/C20H20N2O4S/c1-2-21-18-16-8-3-4-9-17(16)26-20(23)19(18)22-27(24,25)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,21-22H,2,5-7H2,1H3
InChIKeySNZDJSJAWDRTEZ-UHFFFAOYSA-N
MW384.46 g/mol
LogP3.51
Rot. Bonds5

About N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide

N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (PubChem CID 50778788) has the molecular formula C20H20N2O4S and a molecular weight of 384.46 g/mol. Its IUPAC name is N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.

Molecular Properties

Compound NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
PubChem CID50778788
Molecular FormulaC20H20N2O4S
Molecular Weight384.46 g/mol
Exact Mass384.11
IUPAC NameN-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
SMILESCCNc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(=O)oc2ccccc12
InChIInChI=1S/C20H20N2O4S/c1-2-21-18-16-8-3-4-9-17(16)26-20(23)19(18)22-27(24,25)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,21-22H,2,5-7H2,1H3
InChIKeySNZDJSJAWDRTEZ-UHFFFAOYSA-N
XLogP3.51
TPSA88.41 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.46
LogP ≤ 53.51
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-(benzylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 50778782
N-ethyl-2,3-dihydro-1H-indene-5-sulfonamide
CID 43212855
4-ethyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778807
3-chloro-4-methyl-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778713
1-[4-(ethylamino)-2-oxochromen-3-yl]-3-propan-2-ylurea
CID 6471934
4-fluoro-N-(2-oxo-4-pyrrolidin-1-ylchromen-3-yl)benzenesulfonamide
CID 50778740
N-(2-methylbutan-2-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 26948836
N-[4-(cyclopentylamino)-2-oxochromen-3-yl]-1,3-dimethyl-2-oxobenzimidazole-5-sulfonamide
CID 50778781
N-(1-bromo-2-methylbutan-2-yl)-2,3-dihydro-1H-indene-5-sulfonamide
CID 114293826
N-[4-(cyclohexylamino)-2-oxochromen-3-yl]benzenesulfonamide
CID 35397354
N-[3-(hydroxymethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 62520343
N-[3-(aminomethyl)pentan-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide
CID 61124769

Frequently Asked Questions

What is the IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The IUPAC name of N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide (CID 50778788) is N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide.
What is the SMILES notation for N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The canonical SMILES for N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is CCNc1c(NS(=O)(=O)c2ccc3c(c2)CCC3)c(=O)oc2ccccc12.
What is the InChIKey of N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
The InChIKey is SNZDJSJAWDRTEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2O4S/c1-2-21-18-16-8-3-4-9-17(16)26-20(23)19(18)22-27(24,25)15-11-10-13-6-5-7-14(13)12-15/h3-4,8-12,21-22H,2,5-7H2,1H3.
What are the key properties of N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide?
N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide has a molecular weight of 384.46 g/mol, XLogP of 3.51, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(ethylamino)-2-oxochromen-3-yl]-2,3-dihydro-1H-indene-5-sulfonamide is sourced from PubChem (CID 50778788), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).