3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide

C20H27ClN4O4S2 — CID 142774149

IUPAC3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCNCCNS(=O)(=O)c1ccc(C(CC2CCOCC2c2ncc(Cl)s2)C(N)=O)cc1
InChIInChI=1S/C20H27ClN4O4S2/c1-23-7-8-25-31(27,28)15-4-2-13(3-5-15)16(19(22)26)10-14-6-9-29-12-17(14)20-24-11-18(21)30-20/h2-5,11,14,16-17,23,25H,6-10,12H2,1H3,(H2,22,26)
InChIKeyXFXVMTCNSVPQMM-UHFFFAOYSA-N
MW487.05 g/mol
LogP2.07
Rot. Bonds10

About 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide

3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide (PubChem CID 142774149) has the molecular formula C20H27ClN4O4S2 and a molecular weight of 487.05 g/mol. Its IUPAC name is 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide.

Molecular Properties

Compound Name3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide
PubChem CID142774149
Molecular FormulaC20H27ClN4O4S2
Molecular Weight487.05 g/mol
Exact Mass486.12
IUPAC Name3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide
SMILESCNCCNS(=O)(=O)c1ccc(C(CC2CCOCC2c2ncc(Cl)s2)C(N)=O)cc1
InChIInChI=1S/C20H27ClN4O4S2/c1-23-7-8-25-31(27,28)15-4-2-13(3-5-15)16(19(22)26)10-14-6-9-29-12-17(14)20-24-11-18(21)30-20/h2-5,11,14,16-17,23,25H,6-10,12H2,1H3,(H2,22,26)
InChIKeyXFXVMTCNSVPQMM-UHFFFAOYSA-N
XLogP2.07
TPSA123.41 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.05
LogP ≤ 52.07
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094198
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[2-(dimethylamino)ethylsulfamoyl]phenyl]-3-(oxan-4-yl)propanamide
CID 21094197
ethyl 2-[4-(ethylsulfamoyl)phenyl]-3-(oxan-4-yl)propanoate
CID 21094177
4-chloro-N-[2-(methylamino)ethyl]benzenesulfonamide;hydrochloride
CID 119972887
N-(5-chloro-1,3-thiazol-2-yl)-2-[4-[(E)-2-(3-hydroxycyclobutyl)ethenyl]sulfonylphenyl]-3-(oxan-4-yl)propanamide
CID 142933258
4-ethoxy-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 62657994
4-methyl-N-[2-(methylamino)ethyl]benzenesulfonamide
CID 12673073
(2R)-2-(4-cyclopropylsulfonylphenyl)-N-(5-methyl-1,3-thiazol-2-yl)-3-(oxan-4-yl)propanamide
CID 24906075
2-[4-(2-methoxyethylsulfamoyl)phenyl]-N-[5-(methoxymethyl)-1,3-thiazol-2-yl]-2-[(3R)-oxolan-3-yl]oxyiminoacetamide
CID 91422716
N-[2-(3-cyclopropyl-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazol-6-yl)ethyl]-4-propan-2-ylbenzenesulfonamide
CID 110401298
N-(5-chloro-1,3-thiazol-2-yl)-2-(4-methylsulfonylphenyl)-2-(oxan-4-yloxyimino)acetamide
CID 76631393
N-[2-[(4-propan-2-ylphenyl)sulfonylamino]ethyl]acetamide
CID 31481872

Frequently Asked Questions

What is the IUPAC name of 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide?
The IUPAC name of 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide (CID 142774149) is 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide.
What is the SMILES notation for 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide?
The canonical SMILES for 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide is CNCCNS(=O)(=O)c1ccc(C(CC2CCOCC2c2ncc(Cl)s2)C(N)=O)cc1.
What is the InChIKey of 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide?
The InChIKey is XFXVMTCNSVPQMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27ClN4O4S2/c1-23-7-8-25-31(27,28)15-4-2-13(3-5-15)16(19(22)26)10-14-6-9-29-12-17(14)20-24-11-18(21)30-20/h2-5,11,14,16-17,23,25H,6-10,12H2,1H3,(H2,22,26).
What are the key properties of 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide?
3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide has a molecular weight of 487.05 g/mol, XLogP of 2.07, 10 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(5-chloro-1,3-thiazol-2-yl)oxan-4-yl]-2-[4-[2-(methylamino)ethylsulfamoyl]phenyl]propanamide is sourced from PubChem (CID 142774149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).