2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide

C22H24ClN3O3S2 — CID 138545364

IUPAC2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(c1ccccc1)c1nc(CC(=O)N(C)C(C)C)cs1
InChIInChI=1S/C22H24ClN3O3S2/c1-15(2)25(4)21(27)13-17-14-30-22(24-17)26(18-9-6-5-7-10-18)31(28,29)20-12-8-11-19(23)16(20)3/h5-12,14-15H,13H2,1-4H3
InChIKeyPWYFZHHUWNEMCI-UHFFFAOYSA-N
MW478.04 g/mol
LogP5.04
Rot. Bonds7

About 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide

2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide (PubChem CID 138545364) has the molecular formula C22H24ClN3O3S2 and a molecular weight of 478.04 g/mol. Its IUPAC name is 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide.

Molecular Properties

Compound Name2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
PubChem CID138545364
Molecular FormulaC22H24ClN3O3S2
Molecular Weight478.04 g/mol
Exact Mass477.09
IUPAC Name2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
SMILESCc1c(Cl)cccc1S(=O)(=O)N(c1ccccc1)c1nc(CC(=O)N(C)C(C)C)cs1
InChIInChI=1S/C22H24ClN3O3S2/c1-15(2)25(4)21(27)13-17-14-30-22(24-17)26(18-9-6-5-7-10-18)31(28,29)20-12-8-11-19(23)16(20)3/h5-12,14-15H,13H2,1-4H3
InChIKeyPWYFZHHUWNEMCI-UHFFFAOYSA-N
XLogP5.04
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.04
LogP ≤ 55.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 10111686
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methyl-N-[(1S)-1-phenylethyl]acetamide
CID 87545698
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-4-yl]-N-methoxy-N-methylacetamide
CID 87545717
2-[2-[(3-chloro-2-methylphenyl)sulfonylamino]-1,3-thiazol-5-yl]-N-methyl-N-propan-2-ylacetamide
CID 10237688
2-[2-(3-fluorophenyl)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide
CID 86920323
fluoro 2-[(3-chloro-2-methylphenyl)sulfonyl-[4-[2-(4-methylpiperazin-1-yl)-2-oxoethyl]-1,3-thiazol-2-yl]amino]-2,2-difluoroacetate
CID 68716481
2-[2-[(2R)-1-(3-chloro-2-methylanilino)-1-oxopropan-2-yl]-1,3-thiazol-4-yl]acetic acid
CID 9158127
3-chloro-N-[4-[2-(3,4-dihydro-1H-isoquinolin-2-yl)-2-oxoethyl]-1,3-thiazol-2-yl]-2-methylbenzenesulfonamide
CID 11225006
N-[4-[[(2-chlorophenyl)methyl-methylamino]methyl]-1,3-thiazol-2-yl]-N-phenylacetamide
CID 8541797
N-[2-(2,6-dichloroanilino)-2-oxoethyl]-N-methyl-2-(2-methyl-1,3-thiazol-4-yl)acetamide
CID 2475163
N-[(1S)-1-(1-benzofuran-2-yl)ethyl]-2-[2-(2-chlorophenyl)-1,3-thiazol-4-yl]-N-methylacetamide
CID 39976211
3-chloro-N-(1-hydroxy-2-methylpropan-2-yl)-N,2-dimethylbenzenesulfonamide
CID 113351322

Frequently Asked Questions

What is the IUPAC name of 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The IUPAC name of 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide (CID 138545364) is 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide.
What is the SMILES notation for 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The canonical SMILES for 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide is Cc1c(Cl)cccc1S(=O)(=O)N(c1ccccc1)c1nc(CC(=O)N(C)C(C)C)cs1.
What is the InChIKey of 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
The InChIKey is PWYFZHHUWNEMCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24ClN3O3S2/c1-15(2)25(4)21(27)13-17-14-30-22(24-17)26(18-9-6-5-7-10-18)31(28,29)20-12-8-11-19(23)16(20)3/h5-12,14-15H,13H2,1-4H3.
What are the key properties of 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide?
2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide has a molecular weight of 478.04 g/mol, XLogP of 5.04, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(N-(3-chloro-2-methylphenyl)sulfonylanilino)-1,3-thiazol-4-yl]-N-methyl-N-propan-2-ylacetamide is sourced from PubChem (CID 138545364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).