N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide

C19H22N2O4S2 — CID 39952772

IUPACN-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C19H22N2O4S2/c1-3-25-17-9-8-14(20-13(2)22)12-19(17)27(23,24)21-16-10-11-26-18-7-5-4-6-15(16)18/h4-9,12,16,21H,3,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyUERSDXBGOWWNRT-MRXNPFEDSA-N
MW406.53 g/mol
LogP3.56
Rot. Bonds6

About N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide

N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide (PubChem CID 39952772) has the molecular formula C19H22N2O4S2 and a molecular weight of 406.53 g/mol. Its IUPAC name is N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide.

Molecular Properties

Compound NameN-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide
PubChem CID39952772
Molecular FormulaC19H22N2O4S2
Molecular Weight406.53 g/mol
Exact Mass406.10
IUPAC NameN-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide
SMILESCCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21
InChIInChI=1S/C19H22N2O4S2/c1-3-25-17-9-8-14(20-13(2)22)12-19(17)27(23,24)21-16-10-11-26-18-7-5-4-6-15(16)18/h4-9,12,16,21H,3,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1
InChIKeyUERSDXBGOWWNRT-MRXNPFEDSA-N
XLogP3.56
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.53
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide with MolForge

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Related Compounds

N-[(4R)-3,4-dihydro-2H-thiochromen-4-yl]-2-methoxy-5-methylbenzenesulfonamide
CID 8799527
N-(3,4-dihydro-2H-thiochromen-4-yl)-2,5-difluorobenzenesulfonamide
CID 17486240
N-[4-[(6-chloro-3,4-dihydro-2H-thiochromen-4-yl)sulfamoyl]phenyl]acetamide
CID 46644365
4-bromo-2-chloro-N-[(4S)-3,4-dihydro-2H-thiochromen-4-yl]benzenesulfonamide
CID 25483882
N-(3,4-dihydro-2H-thiochromen-4-yl)-4-methoxy-3,5-dimethylbenzenesulfonamide
CID 112823036
(2R)-2-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]amino]-N-(2-ethoxyphenyl)-2-phenylacetamide
CID 8773922
N-(1-ethylsulfonylpropan-2-yl)-3,4-dihydro-2H-thiochromen-4-amine
CID 115889817
N-(4-ethoxy-3-sulfamoylphenyl)cyclobutanecarboxamide
CID 43134013
N-[4-ethoxy-3-(4-methylpiperazin-1-yl)sulfonylphenyl]acetamide
CID 51699027
N-(3,4-diethoxyphenyl)acetamide
CID 13120229
N-[3-[[(5-acetamido-2-ethoxyphenyl)sulfonyl-(1,1-dioxothiolan-3-yl)amino]-(1,1-dioxothiolan-3-yl)sulfamoyl]-4-ethoxyphenyl]acetamide
CID 164663221
N-[4-ethoxy-3-[ethyl-(4-hydroxy-1,1-dioxothiolan-3-yl)sulfamoyl]phenyl]acetamide
CID 164663204

Frequently Asked Questions

What is the IUPAC name of N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide?
The IUPAC name of N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide (CID 39952772) is N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide.
What is the SMILES notation for N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide?
The canonical SMILES for N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide is CCOc1ccc(NC(C)=O)cc1S(=O)(=O)N[C@@H]1CCSc2ccccc21.
What is the InChIKey of N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide?
The InChIKey is UERSDXBGOWWNRT-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N2O4S2/c1-3-25-17-9-8-14(20-13(2)22)12-19(17)27(23,24)21-16-10-11-26-18-7-5-4-6-15(16)18/h4-9,12,16,21H,3,10-11H2,1-2H3,(H,20,22)/t16-/m1/s1.
What are the key properties of N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide?
N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide has a molecular weight of 406.53 g/mol, XLogP of 3.56, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[[(4R)-3,4-dihydro-2H-thiochromen-4-yl]sulfamoyl]-4-ethoxyphenyl]acetamide is sourced from PubChem (CID 39952772), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).