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

C20H21N3O4S2 — CID 108782677

IUPACN-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C20H21N3O4S2/c1-13-4-9-18(27-3)19(10-13)29(25,26)23-20-22-17(12-28-20)16-7-5-15(6-8-16)11-21-14(2)24/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJVKOHMBTKQXUQE-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.56
Rot. Bonds7

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

N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (PubChem CID 108782677) has the molecular formula C20H21N3O4S2 and a molecular weight of 431.54 g/mol. Its IUPAC name is N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.

Molecular Properties

Compound NameN-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
PubChem CID108782677
Molecular FormulaC20H21N3O4S2
Molecular Weight431.54 g/mol
Exact Mass431.10
IUPAC NameN-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
SMILESCOc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1
InChIInChI=1S/C20H21N3O4S2/c1-13-4-9-18(27-3)19(10-13)29(25,26)23-20-22-17(12-28-20)16-7-5-15(6-8-16)11-21-14(2)24/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23)
InChIKeyJVKOHMBTKQXUQE-UHFFFAOYSA-N
XLogP3.56
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'sulfonamide_F(1)', 'substructure': 'N/A'}

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Related Compounds

N-[[4-[2-[(5-chloro-2-methoxyphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782675
2-methoxy-5-methyl-N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]benzenesulfonamide
CID 8841457
N-[[3-[(2,5-dimethylphenyl)sulfamoyl]-4-methoxyphenyl]methyl]acetamide
CID 47062648
2-(3,4-dimethoxyphenyl)-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7831958
N-[[4-[2-(4-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343440
N-[[4-methoxy-3-[(3-methylphenyl)sulfamoyl]phenyl]methyl]acetamide
CID 47062659
N-[[4-[2-[(4-chloro-3-nitrophenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 108782673
ethyl N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]carbamate
CID 108739772
N-[[4-[2-(3-methoxyanilino)-1,3-thiazol-4-yl]phenyl]methyl]acetamide
CID 9343570
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-3-(4-methylphenoxy)propanamide
CID 31893475
4-(acetamidomethyl)-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]benzamide
CID 46629026
N-[4-[4-(acetamidomethyl)phenyl]-1,3-thiazol-2-yl]-2,2,2-trifluoroacetamide
CID 108762412

Frequently Asked Questions

What is the IUPAC name of N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The IUPAC name of N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide (CID 108782677) is N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide.
What is the SMILES notation for N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The canonical SMILES for N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is COc1ccc(C)cc1S(=O)(=O)Nc1nc(-c2ccc(CNC(C)=O)cc2)cs1.
What is the InChIKey of N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
The InChIKey is JVKOHMBTKQXUQE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O4S2/c1-13-4-9-18(27-3)19(10-13)29(25,26)23-20-22-17(12-28-20)16-7-5-15(6-8-16)11-21-14(2)24/h4-10,12H,11H2,1-3H3,(H,21,24)(H,22,23).
What are the key properties of N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide?
N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide has a molecular weight of 431.54 g/mol, XLogP of 3.56, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[4-[2-[(2-methoxy-5-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]phenyl]methyl]acetamide is sourced from PubChem (CID 108782677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).