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

C19H18ClN3O3S2 — CID 27378029

IUPACN-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1
InChIInChI=1S/C19H18ClN3O3S2/c1-28(25,26)16-8-6-14(7-9-16)22-19-23-15(12-27-19)10-18(24)21-11-13-4-2-3-5-17(13)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyYAVDCQDBGPUSDC-UHFFFAOYSA-N
MW435.96 g/mol
LogP3.80
Rot. Bonds7

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

N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (PubChem CID 27378029) has the molecular formula C19H18ClN3O3S2 and a molecular weight of 435.96 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
PubChem CID27378029
Molecular FormulaC19H18ClN3O3S2
Molecular Weight435.96 g/mol
Exact Mass435.05
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
SMILESCS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1
InChIInChI=1S/C19H18ClN3O3S2/c1-28(25,26)16-8-6-14(7-9-16)22-19-23-15(12-27-19)10-18(24)21-11-13-4-2-3-5-17(13)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23)
InChIKeyYAVDCQDBGPUSDC-UHFFFAOYSA-N
XLogP3.80
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.96
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-(2-methylpropyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942320
N-(3-chlorophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30942363
N-(3-acetamidophenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378040
N-[2-(4-fluorophenyl)ethyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 27378023
2-(2-anilino-1,3-thiazol-4-yl)-N-[(4-chlorophenyl)methyl]acetamide
CID 30940383
N-(3-fluoro-4-methylphenyl)-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide
CID 30860051
N-[(2-chlorophenyl)methyl]-2-[2-(sulfanylmethyl)-1,3-thiazol-4-yl]acetamide
CID 91525687
N,N,4-trimethyl-2-[[2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetyl]amino]-1,3-thiazole-5-carboxamide
CID 30942275
2-[2-(3-chloroanilino)-1,3-thiazol-4-yl]-N-[(2-methoxyphenyl)methyl]acetamide
CID 27377989
2-(2-anilino-1,3-thiazol-4-yl)-N-(4-chlorophenyl)acetamide
CID 30940405
2-[2-[2-(4-acetamidoanilino)-2-oxoethyl]sulfanyl-1,3-thiazol-4-yl]-N-[(2-chlorophenyl)methyl]acetamide
CID 16898708
N-[4-[2-[(2-chlorophenyl)methylamino]-2-oxoethyl]-1,3-thiazol-2-yl]-5-oxopyrrolidine-2-carboxamide
CID 16881397

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide (CID 27378029) is N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is CS(=O)(=O)c1ccc(Nc2nc(CC(=O)NCc3ccccc3Cl)cs2)cc1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
The InChIKey is YAVDCQDBGPUSDC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18ClN3O3S2/c1-28(25,26)16-8-6-14(7-9-16)22-19-23-15(12-27-19)10-18(24)21-11-13-4-2-3-5-17(13)20/h2-9,12H,10-11H2,1H3,(H,21,24)(H,22,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide?
N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide has a molecular weight of 435.96 g/mol, XLogP of 3.80, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[2-(4-methylsulfonylanilino)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 27378029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).