N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

C14H17N3O4S2 — CID 87061286

IUPACN-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cccc(S(=O)(=O)NCCO)c2)s1
InChIInChI=1S/C14H17N3O4S2/c1-9-13(22-14(16-9)17-10(2)19)11-4-3-5-12(8-11)23(20,21)15-6-7-18/h3-5,8,15,18H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyIWWYVZGQGNAVGJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP1.35
Rot. Bonds6

About N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide

N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (PubChem CID 87061286) has the molecular formula C14H17N3O4S2 and a molecular weight of 355.44 g/mol. Its IUPAC name is N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound NameN-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
PubChem CID87061286
Molecular FormulaC14H17N3O4S2
Molecular Weight355.44 g/mol
Exact Mass355.07
IUPAC NameN-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide
SMILESCC(=O)Nc1nc(C)c(-c2cccc(S(=O)(=O)NCCO)c2)s1
InChIInChI=1S/C14H17N3O4S2/c1-9-13(22-14(16-9)17-10(2)19)11-4-3-5-12(8-11)23(20,21)15-6-7-18/h3-5,8,15,18H,6-7H2,1-2H3,(H,16,17,19)
InChIKeyIWWYVZGQGNAVGJ-UHFFFAOYSA-N
XLogP1.35
TPSA108.39 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 3-[[4-methyl-5-(3-methylsulfonylphenyl)-1,3-thiazol-2-yl]carbamoylamino]propanoate
CID 86598447
N-[4-(2-hydroxyethylsulfamoyl)-2-methylphenyl]acetamide
CID 58962606
N-[5-(2-aminooxyethylsulfamoyl)-4-methyl-1,3-thiazol-2-yl]acetamide
CID 87281931
2-[[5-(2-acetamido-4-methyl-1,3-thiazol-5-yl)thiophen-2-yl]sulfonylamino]-N-methylacetamide
CID 11998432
N-[6-[3-[2-hydroxyethyl(methyl)sulfamoyl]phenyl]-1,3-benzothiazol-2-yl]acetamide
CID 87563994
N-[4-methyl-5-[2-(3-methylsulfonylanilino)-1,3-thiazol-4-yl]-1,3-thiazol-2-yl]acetamide
CID 11258329
N-[4-methyl-5-[5-(prop-2-enylsulfamoyl)thiophen-3-yl]-1,3-thiazol-2-yl]acetamide
CID 11999020
N-[5-[5-(benzenesulfonamido)-2-pyridinyl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 86620407
N-[4-methyl-5-(2-pyridin-3-ylethylsulfamoyl)-1,3-thiazol-2-yl]acetamide
CID 118741351
N-(2-hydroxyethyl)-3-methoxybenzenesulfonamide
CID 81258228
3-(2-hydroxyethylsulfamoyl)benzamide
CID 69287741
N-[5-[5-[(3,5-dichlorophenyl)methylsulfamoyl]furan-2-yl]-4-methyl-1,3-thiazol-2-yl]acetamide
CID 59362171

Frequently Asked Questions

What is the IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The IUPAC name of N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide (CID 87061286) is N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is CC(=O)Nc1nc(C)c(-c2cccc(S(=O)(=O)NCCO)c2)s1.
What is the InChIKey of N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
The InChIKey is IWWYVZGQGNAVGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O4S2/c1-9-13(22-14(16-9)17-10(2)19)11-4-3-5-12(8-11)23(20,21)15-6-7-18/h3-5,8,15,18H,6-7H2,1-2H3,(H,16,17,19).
What are the key properties of N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide?
N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide has a molecular weight of 355.44 g/mol, XLogP of 1.35, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[3-(2-hydroxyethylsulfamoyl)phenyl]-4-methyl-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 87061286), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).