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

C18H19N3O3S2 — CID 2965080

IUPACN-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C2=NCC(C)S2)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-12-19-18(25-13)21(16-6-4-3-5-7-16)26(23,24)17-10-8-15(9-11-17)20-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyQHCUKOGUNYEHHO-UHFFFAOYSA-N
MW389.50 g/mol
LogP3.33
Rot. Bonds4

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

N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide (PubChem CID 2965080) has the molecular formula C18H19N3O3S2 and a molecular weight of 389.50 g/mol. Its IUPAC name is N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide
PubChem CID2965080
Molecular FormulaC18H19N3O3S2
Molecular Weight389.50 g/mol
Exact Mass389.09
IUPAC NameN-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide
SMILESCC(=O)Nc1ccc(S(=O)(=O)N(C2=NCC(C)S2)c2ccccc2)cc1
InChIInChI=1S/C18H19N3O3S2/c1-13-12-19-18(25-13)21(16-6-4-3-5-7-16)26(23,24)17-10-8-15(9-11-17)20-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,22)
InChIKeyQHCUKOGUNYEHHO-UHFFFAOYSA-N
XLogP3.33
TPSA78.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.50
LogP ≤ 53.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide?
The IUPAC name of N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide (CID 2965080) is N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide.
What is the SMILES notation for N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide?
The canonical SMILES for N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide is CC(=O)Nc1ccc(S(=O)(=O)N(C2=NCC(C)S2)c2ccccc2)cc1.
What is the InChIKey of N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide?
The InChIKey is QHCUKOGUNYEHHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3O3S2/c1-13-12-19-18(25-13)21(16-6-4-3-5-7-16)26(23,24)17-10-8-15(9-11-17)20-14(2)22/h3-11,13H,12H2,1-2H3,(H,20,22).
What are the key properties of N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide?
N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide has a molecular weight of 389.50 g/mol, XLogP of 3.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-methyl-4,5-dihydro-1,3-thiazol-2-yl)-phenylsulfamoyl]phenyl]acetamide is sourced from PubChem (CID 2965080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).