N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

C20H21N3O5S2 — CID 30860022

IUPACN-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1
InChIInChI=1S/C20H21N3O5S2/c1-27-15-6-9-17(18(11-15)28-2)23-19(24)10-14-12-29-20(22-14)21-13-4-7-16(8-5-13)30(3,25)26/h4-9,11-12H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDTRJMFZXYMAHDS-UHFFFAOYSA-N
MW447.54 g/mol
LogP3.49
Rot. Bonds8

About N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide

N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 30860022) has the molecular formula C20H21N3O5S2 and a molecular weight of 447.54 g/mol. Its IUPAC name is N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID30860022
Molecular FormulaC20H21N3O5S2
Molecular Weight447.54 g/mol
Exact Mass447.09
IUPAC NameN-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCOc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1
InChIInChI=1S/C20H21N3O5S2/c1-27-15-6-9-17(18(11-15)28-2)23-19(24)10-14-12-29-20(22-14)21-13-4-7-16(8-5-13)30(3,25)26/h4-9,11-12H,10H2,1-3H3,(H,21,22)(H,23,24)
InChIKeyDTRJMFZXYMAHDS-UHFFFAOYSA-N
XLogP3.49
TPSA106.62 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.54
LogP ≤ 53.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-(2,4-dimethoxyphenyl)-4-(2,4-dimethyl-1,3-thiazol-5-yl)-1,3-thiazol-2-amine
CID 972358
N-{4-[(2-Methoxy-phenylcarbamoyl)-methyl]-thiazol-2-yl}-propionamide
CID 864703
N-(2-Methoxy-phenyl)-2-[2-(3-phenyl-thioureido)-thiazol-4-yl]-acetamide
CID 1169035
N-(2-Methoxy-phenyl)-2-[2-(3-p-tolyl-thioureido)-thiazol-4-yl]-acetamide
CID 3168636
N-(2-methoxyphenyl)-2-[2-[(4-methoxyphenyl)carbamothioylamino]-1,3-thiazol-4-yl]acetamide
CID 3168637
1-(2,4-dimethoxyphenyl)-5-oxo-N-[4-(1,3-thiazol-2-ylsulfamoyl)phenyl]pyrrolidine-3-carboxamide
CID 16315999
N-[4-(dimethylamino)phenyl]-2-(2-{[(2-methoxyphenyl)carbamoyl]amino}-1,3-thiazol-4-yl)acetamide
CID 16813553
N-(2-fluorophenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567656
N-(3-methoxyphenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567660
2-(2-Amino-thiazol-4-yl)-N-(2-methoxy-phenyl)-acetamide
CID 646325
1-[4-[2-Keto-2-[4-(4-methoxyphenyl)piperazino]ethyl]thiazol-2-yl]-3-(2-methoxyphenyl)urea
CID 16809323
N-(3-fluorophenyl)-2-(2-(3-(2-methoxyphenyl)ureido)thiazol-4-yl)acetamide
CID 18567657

Frequently Asked Questions

What is the IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 30860022) is N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is COc1ccc(NC(=O)Cc2csc(Nc3ccc(S(C)(=O)=O)cc3)n2)c(OC)c1.
What is the InChIKey of N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is DTRJMFZXYMAHDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O5S2/c1-27-15-6-9-17(18(11-15)28-2)23-19(24)10-14-12-29-20(22-14)21-13-4-7-16(8-5-13)30(3,25)26/h4-9,11-12H,10H2,1-3H3,(H,21,22)(H,23,24).
What are the key properties of N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 447.54 g/mol, XLogP of 3.49, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,4-dimethoxyphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 30860022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).