N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide

C19H19N3O3S2 — CID 162646916

IUPACN-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O3S2/c1-14-17(18(23)20-12-15-8-4-2-5-9-15)26-19(21-14)22-27(24,25)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyKJABUZVCKVIFLR-UHFFFAOYSA-N
MW401.51 g/mol
LogP3.32
Rot. Bonds7

About N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide

N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide (PubChem CID 162646916) has the molecular formula C19H19N3O3S2 and a molecular weight of 401.51 g/mol. Its IUPAC name is N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide.

Molecular Properties

Compound NameN-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide
PubChem CID162646916
Molecular FormulaC19H19N3O3S2
Molecular Weight401.51 g/mol
Exact Mass401.09
IUPAC NameN-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide
SMILESCc1nc(NS(=O)(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1
InChIInChI=1S/C19H19N3O3S2/c1-14-17(18(23)20-12-15-8-4-2-5-9-15)26-19(21-14)22-27(24,25)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22)
InChIKeyKJABUZVCKVIFLR-UHFFFAOYSA-N
XLogP3.32
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.51
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The IUPAC name of N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide (CID 162646916) is N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide.
What is the SMILES notation for N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The canonical SMILES for N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide is Cc1nc(NS(=O)(=O)Cc2ccccc2)sc1C(=O)NCc1ccccc1.
What is the InChIKey of N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
The InChIKey is KJABUZVCKVIFLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N3O3S2/c1-14-17(18(23)20-12-15-8-4-2-5-9-15)26-19(21-14)22-27(24,25)13-16-10-6-3-7-11-16/h2-11H,12-13H2,1H3,(H,20,23)(H,21,22).
What are the key properties of N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide?
N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide has a molecular weight of 401.51 g/mol, XLogP of 3.32, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-2-(benzylsulfonylamino)-4-methyl-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 162646916), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).