(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide

C18H23N3O5S — CID 69321856

IUPAC(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(N)=O)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)21(12-17(22)18(19)23)27(24,25)20(2)3/h4-11,17,22H,12H2,1-3H3,(H2,19,23)/t17-/m0/s1
InChIKeyRSJDFTPVYHZONS-KRWDZBQOSA-N
MW393.47 g/mol
LogP1.25
Rot. Bonds8

About (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide

(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide (PubChem CID 69321856) has the molecular formula C18H23N3O5S and a molecular weight of 393.47 g/mol. Its IUPAC name is (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide.

Molecular Properties

Compound Name(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide
PubChem CID69321856
Molecular FormulaC18H23N3O5S
Molecular Weight393.47 g/mol
Exact Mass393.14
IUPAC Name(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide
SMILESCc1ccc(Oc2ccc(N(C[C@H](O)C(N)=O)S(=O)(=O)N(C)C)cc2)cc1
InChIInChI=1S/C18H23N3O5S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)21(12-17(22)18(19)23)27(24,25)20(2)3/h4-11,17,22H,12H2,1-3H3,(H2,19,23)/t17-/m0/s1
InChIKeyRSJDFTPVYHZONS-KRWDZBQOSA-N
XLogP1.25
TPSA113.17 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.47
LogP ≤ 51.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-hydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 69318720
2-[N-(dimethylsulfamoyl)-4-methylanilino]-N-methylacetamide
CID 50807963
1-[4-[4-[carbamoyl-(4-methylphenyl)sulfonylamino]phenoxy]phenyl]-1-(4-methylphenyl)sulfonylurea
CID 19389530
(2R)-1-[N-(dimethylsulfamoyl)anilino]propan-2-ol
CID 97317746
N-[(2S)-1-(hydroxyamino)-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]-1-oxopropan-2-yl]-2-methylpropanamide
CID 24955859
N-[(2S)-2-hydroxy-3-[4-[(2R)-2-hydroxy-3-(4-methyl-N-(4-methylphenyl)sulfonylanilino)propoxy]phenoxy]propyl]-4-methyl-N-(4-methylphenyl)benzenesulfonamide
CID 99674364
N,2-dihydroxy-2-methyl-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24882535
(2S)-2-(benzylamino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 24956943
2-(4-fluoroanilino)-N-hydroxy-3-[4-(4-methylphenoxy)-N-methylsulfonylanilino]propanamide
CID 59704806
1-[2-(N-(4-methylphenyl)sulfonyl-4-phenoxyanilino)acetyl]piperidine-4-carboxamide
CID 2976213
2-[N-(dimethylsulfamoyl)-4-fluoroanilino]-N-(4-methylphenyl)acetamide
CID 53283197
(2R)-2-[[2-hydroxy-3-(4-methylphenoxy)propyl]-methylamino]propanamide
CID 110027696

Frequently Asked Questions

What is the IUPAC name of (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide?
The IUPAC name of (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide (CID 69321856) is (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide.
What is the SMILES notation for (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide?
The canonical SMILES for (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide is Cc1ccc(Oc2ccc(N(C[C@H](O)C(N)=O)S(=O)(=O)N(C)C)cc2)cc1.
What is the InChIKey of (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide?
The InChIKey is RSJDFTPVYHZONS-KRWDZBQOSA-N. The full InChI is InChI=1S/C18H23N3O5S/c1-13-4-8-15(9-5-13)26-16-10-6-14(7-11-16)21(12-17(22)18(19)23)27(24,25)20(2)3/h4-11,17,22H,12H2,1-3H3,(H2,19,23)/t17-/m0/s1.
What are the key properties of (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide?
(2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide has a molecular weight of 393.47 g/mol, XLogP of 1.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-3-[N-(dimethylsulfamoyl)-4-(4-methylphenoxy)anilino]-2-hydroxypropanamide is sourced from PubChem (CID 69321856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).