2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide

C18H14ClF2N3O3S2 — CID 2481850

IUPAC2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-24(29(26,27)13-5-3-12(19)4-6-13)9-17(25)23-18-22-16(10-28-18)11-2-7-14(20)15(21)8-11/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyQIKKLNRBYFARSK-UHFFFAOYSA-N
MW457.91 g/mol
LogP4.00
Rot. Bonds6

About 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 2481850) has the molecular formula C18H14ClF2N3O3S2 and a molecular weight of 457.91 g/mol. Its IUPAC name is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID2481850
Molecular FormulaC18H14ClF2N3O3S2
Molecular Weight457.91 g/mol
Exact Mass457.01
IUPAC Name2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H14ClF2N3O3S2/c1-24(29(26,27)13-5-3-12(19)4-6-13)9-17(25)23-18-22-16(10-28-18)11-2-7-14(20)15(21)8-11/h2-8,10H,9H2,1H3,(H,22,23,25)
InChIKeyQIKKLNRBYFARSK-UHFFFAOYSA-N
XLogP4.00
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.91
LogP ≤ 54.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(2,5-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2093950
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
2-[2-(4-chlorophenoxy)ethyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 16565427
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 38904419
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-[methyl(thiophen-2-ylsulfonyl)amino]butanamide
CID 24593558
2-(4-chlorophenyl)sulfonyl-N-[4-(4-methylphenyl)-1,3-thiazol-2-yl]acetamide
CID 7543926
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-4-ethylsulfonylbenzamide
CID 16820846
N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]-2-[furan-2-ylmethyl(methyl)amino]acetamide
CID 26307182
2-[[2-(2,6-dichloroanilino)-2-oxoethyl]-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 55432086
2-[(3-chloro-4-methoxyphenyl)sulfonyl-methylamino]-N-[2-methoxy-5-[2-(methylamino)-1,3-thiazol-4-yl]phenyl]acetamide
CID 100797085

Frequently Asked Questions

What is the IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide (CID 2481850) is 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is CN(CC(=O)Nc1nc(-c2ccc(F)c(F)c2)cs1)S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is QIKKLNRBYFARSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClF2N3O3S2/c1-24(29(26,27)13-5-3-12(19)4-6-13)9-17(25)23-18-22-16(10-28-18)11-2-7-14(20)15(21)8-11/h2-8,10H,9H2,1H3,(H,22,23,25).
What are the key properties of 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 457.91 g/mol, XLogP of 4.00, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 2481850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).