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

C19H15BrN4O3S2 — CID 38904419

IUPAC2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O3S2/c1-24(29(26,27)16-8-6-15(20)7-9-16)11-18(25)23-19-22-17(12-28-19)14-4-2-13(10-21)3-5-14/h2-9,12H,11H2,1H3,(H,22,23,25)
InChIKeyLXIOGPBLVRHJCE-UHFFFAOYSA-N
MW491.39 g/mol
LogP3.70
Rot. Bonds6

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

2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (PubChem CID 38904419) has the molecular formula C19H15BrN4O3S2 and a molecular weight of 491.39 g/mol. Its IUPAC name is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.

Molecular Properties

Compound Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
PubChem CID38904419
Molecular FormulaC19H15BrN4O3S2
Molecular Weight491.39 g/mol
Exact Mass489.98
IUPAC Name2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
SMILESCN(CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)S(=O)(=O)c1ccc(Br)cc1
InChIInChI=1S/C19H15BrN4O3S2/c1-24(29(26,27)16-8-6-15(20)7-9-16)11-18(25)23-19-22-17(12-28-19)14-4-2-13(10-21)3-5-14/h2-9,12H,11H2,1H3,(H,22,23,25)
InChIKeyLXIOGPBLVRHJCE-UHFFFAOYSA-N
XLogP3.70
TPSA103.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500491.39
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[(4-chlorophenyl)sulfonyl-methylamino]-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]acetamide
CID 2481850
N-[4-(4-ethylphenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 31288135
2-cyano-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide
CID 146190059
4-[bis(2-methoxyethyl)sulfamoyl]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]benzamide
CID 4138980
4-[bis(2-methylpropyl)sulfamoyl]-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]benzamide
CID 4574382
N-[[3-[[4-(4-cyanophenyl)-1,3-thiazol-2-yl]amino]-3-oxopropyl]-methylsulfamoyl]benzamide
CID 153333150
2-bromo-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]acetamide
CID 87665337
N-[4-[4-(dimethylsulfamoyl)phenyl]-1,3-thiazol-2-yl]-2-(4-fluorophenoxy)acetamide
CID 17012865
N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-4-(dipropylsulfamoyl)benzamide
CID 3271208
N-[(6-bromoimidazo[1,2-a]pyridin-2-yl)methyl]-2-[(4-cyanophenyl)sulfonyl-methylamino]acetamide
CID 55975623
N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]-2-(4-methoxyphenyl)acetamide
CID 8718906
N-[4-(2-chlorophenyl)-1,3-thiazol-2-yl]-2-[(4-fluorophenyl)sulfonyl-methylamino]acetamide
CID 26066021

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The IUPAC name of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide (CID 38904419) is 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide.
What is the SMILES notation for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The canonical SMILES for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is CN(CC(=O)Nc1nc(-c2ccc(C#N)cc2)cs1)S(=O)(=O)c1ccc(Br)cc1.
What is the InChIKey of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
The InChIKey is LXIOGPBLVRHJCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O3S2/c1-24(29(26,27)16-8-6-15(20)7-9-16)11-18(25)23-19-22-17(12-28-19)14-4-2-13(10-21)3-5-14/h2-9,12H,11H2,1H3,(H,22,23,25).
What are the key properties of 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide?
2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide has a molecular weight of 491.39 g/mol, XLogP of 3.70, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)sulfonyl-methylamino]-N-[4-(4-cyanophenyl)-1,3-thiazol-2-yl]acetamide is sourced from PubChem (CID 38904419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).