N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

C22H23N3O4S2 — CID 46823616

IUPACN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23N3O4S2/c1-2-29-19-11-10-17(14-20(19)31(27,28)25-12-6-7-13-25)23-21(26)18-15-30-22(24-18)16-8-4-3-5-9-16/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H,23,26)
InChIKeyMLWLVSGNQUIKLO-UHFFFAOYSA-N
MW457.58 g/mol
LogP4.25
Rot. Bonds7

About N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide

N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (PubChem CID 46823616) has the molecular formula C22H23N3O4S2 and a molecular weight of 457.58 g/mol. Its IUPAC name is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
PubChem CID46823616
Molecular FormulaC22H23N3O4S2
Molecular Weight457.58 g/mol
Exact Mass457.11
IUPAC NameN-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
SMILESCCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C22H23N3O4S2/c1-2-29-19-11-10-17(14-20(19)31(27,28)25-12-6-7-13-25)23-21(26)18-15-30-22(24-18)16-8-4-3-5-9-16/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H,23,26)
InChIKeyMLWLVSGNQUIKLO-UHFFFAOYSA-N
XLogP4.25
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.58
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide
CID 46823541
2-(4-chlorophenyl)-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1,3-thiazole-4-carboxamide
CID 46678053
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenylbenzamide
CID 31527170
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1-phenylpyrazole-3-carboxamide
CID 39932948
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-5-(furan-2-yl)-1,2-oxazole-3-carboxamide
CID 24666449
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-1-benzofuran-2-carboxamide
CID 26189226
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)naphthalene-2-carboxamide
CID 26189255
5-cyclopropyl-N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-1,2-oxazole-3-carboxamide
CID 33205170
N-(4-ethoxy-3-piperidin-1-ylsulfonylphenyl)-5-phenyl-1H-pyrazole-4-carboxamide
CID 55517655
2-bromo-N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)benzamide
CID 26795556
2-(4-chlorophenyl)-N-[3-(dimethylsulfamoyl)-4-ethoxyphenyl]-1,3-thiazole-4-carboxamide
CID 17478688
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-4-ethylbenzamide
CID 26795599

Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The IUPAC name of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide (CID 46823616) is N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is CCOc1ccc(NC(=O)c2csc(-c3ccccc3)n2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
The InChIKey is MLWLVSGNQUIKLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O4S2/c1-2-29-19-11-10-17(14-20(19)31(27,28)25-12-6-7-13-25)23-21(26)18-15-30-22(24-18)16-8-4-3-5-9-16/h3-5,8-11,14-15H,2,6-7,12-13H2,1H3,(H,23,26).
What are the key properties of N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide?
N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide has a molecular weight of 457.58 g/mol, XLogP of 4.25, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxy-3-pyrrolidin-1-ylsulfonylphenyl)-2-phenyl-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 46823616), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).