N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

C21H25NO4S — CID 53210010

IUPACN-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCOc1cccc2c1OCC(NS(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C21H25NO4S/c1-2-25-20-9-5-8-17-12-18(14-26-21(17)20)22-27(23,24)19-11-10-15-6-3-4-7-16(15)13-19/h5,8-11,13,18,22H,2-4,6-7,12,14H2,1H3
InChIKeyZEQBMKDWYOKYEM-UHFFFAOYSA-N
MW387.50 g/mol
LogP3.25
Rot. Bonds5

About N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide

N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (PubChem CID 53210010) has the molecular formula C21H25NO4S and a molecular weight of 387.50 g/mol. Its IUPAC name is N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.

Molecular Properties

Compound NameN-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
PubChem CID53210010
Molecular FormulaC21H25NO4S
Molecular Weight387.50 g/mol
Exact Mass387.15
IUPAC NameN-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
SMILESCCOc1cccc2c1OCC(NS(=O)(=O)c1ccc3c(c1)CCCC3)C2
InChIInChI=1S/C21H25NO4S/c1-2-25-20-9-5-8-17-12-18(14-26-21(17)20)22-27(23,24)19-11-10-15-6-3-4-7-16(15)13-19/h5,8-11,13,18,22H,2-4,6-7,12,14H2,1H3
InChIKeyZEQBMKDWYOKYEM-UHFFFAOYSA-N
XLogP3.25
TPSA64.63 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.50
LogP ≤ 53.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide with MolForge

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Related Compounds

N-[4-[(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)sulfamoyl]phenyl]acetamide
CID 53210004
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2,5-dimethoxybenzenesulfonamide
CID 95117126
5-chloro-N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-2-methoxybenzenesulfonamide
CID 95117130
N-[(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-yl]-1-phenylmethanesulfonamide
CID 95117122
N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209975
3-chloro-4-fluoro-N-(8-methoxy-3,4-dihydro-2H-chromen-3-yl)benzenesulfonamide
CID 53209985
(3S)-8-ethoxy-3,4-dihydro-2H-chromen-3-amine
CID 96753063
2-fluoro-N-[(3S)-8-methoxy-3,4-dihydro-2H-chromen-3-yl]benzenesulfonamide
CID 93045417
ethyl 4-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonylamino)piperidine-1-carboxylate
CID 26945549
(2-ethoxyphenyl) 2,3-dihydro-1H-indene-5-sulfonate
CID 26948950
N-(6-bromo-3,4-dihydro-2H-chromen-3-yl)-4-ethoxybenzenesulfonamide
CID 53210068
N-piperidin-3-yl-5,6,7,8-tetrahydronaphthalene-2-sulfonamide
CID 63320918

Frequently Asked Questions

What is the IUPAC name of N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The IUPAC name of N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide (CID 53210010) is N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide.
What is the SMILES notation for N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The canonical SMILES for N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is CCOc1cccc2c1OCC(NS(=O)(=O)c1ccc3c(c1)CCCC3)C2.
What is the InChIKey of N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
The InChIKey is ZEQBMKDWYOKYEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25NO4S/c1-2-25-20-9-5-8-17-12-18(14-26-21(17)20)22-27(23,24)19-11-10-15-6-3-4-7-16(15)13-19/h5,8-11,13,18,22H,2-4,6-7,12,14H2,1H3.
What are the key properties of N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide?
N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide has a molecular weight of 387.50 g/mol, XLogP of 3.25, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(8-ethoxy-3,4-dihydro-2H-chromen-3-yl)-5,6,7,8-tetrahydronaphthalene-2-sulfonamide is sourced from PubChem (CID 53210010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).