2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide

C22H23N3O5S2 — CID 55989056

IUPAC2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1csc(COc2ccccc2)n1
InChIInChI=1S/C22H23N3O5S2/c23-22(26)19-12-18(32(27,28)25-10-4-5-11-25)8-9-20(19)30-13-16-15-31-21(24-16)14-29-17-6-2-1-3-7-17/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H2,23,26)
InChIKeySIGZEQQXAWNYHB-UHFFFAOYSA-N
MW473.58 g/mol
LogP3.18
Rot. Bonds9

About 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide

2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 55989056) has the molecular formula C22H23N3O5S2 and a molecular weight of 473.58 g/mol. Its IUPAC name is 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID55989056
Molecular FormulaC22H23N3O5S2
Molecular Weight473.58 g/mol
Exact Mass473.11
IUPAC Name2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
SMILESNC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1csc(COc2ccccc2)n1
InChIInChI=1S/C22H23N3O5S2/c23-22(26)19-12-18(32(27,28)25-10-4-5-11-25)8-9-20(19)30-13-16-15-31-21(24-16)14-29-17-6-2-1-3-7-17/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H2,23,26)
InChIKeySIGZEQQXAWNYHB-UHFFFAOYSA-N
XLogP3.18
TPSA111.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.58
LogP ≤ 53.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(4,6-diamino-1,3,5-triazin-2-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 16601995
[2-[(4-chlorophenoxy)methyl]-1,3-thiazol-4-yl]methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 16595708
5-(azepan-1-ylsulfonyl)-2-ethoxybenzamide
CID 171134249
2-(2-anilino-2-oxoethoxy)-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7595381
2-[2-(phenoxymethyl)-1,3-thiazol-4-yl]-1-pyrrolidin-1-ylethanone
CID 112500907
2-[(2-chloro-6-fluorophenyl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 7802215
2-[(3-propan-2-yl-1,2,4-oxadiazol-5-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 25480854
methyl 4-[(2-carbamoyl-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]benzoate
CID 7595375
2-[(6-bromo-2,3-dihydro-1,4-benzodioxin-7-yl)methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 17446305
(2-ethyl-1,3-thiazol-4-yl)methyl 3-pyrrolidin-1-ylsulfonylbenzoate
CID 18165731
2-(2-chlorophenyl)-4-[(2-nitro-4-pyrrolidin-1-ylsulfonylphenoxy)methyl]-1,3-thiazole
CID 4825301
2-[2-(2,5-dimethylphenoxy)ethoxy]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 30328873

Frequently Asked Questions

What is the IUPAC name of 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide (CID 55989056) is 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide is NC(=O)c1cc(S(=O)(=O)N2CCCC2)ccc1OCc1csc(COc2ccccc2)n1.
What is the InChIKey of 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is SIGZEQQXAWNYHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O5S2/c23-22(26)19-12-18(32(27,28)25-10-4-5-11-25)8-9-20(19)30-13-16-15-31-21(24-16)14-29-17-6-2-1-3-7-17/h1-3,6-9,12,15H,4-5,10-11,13-14H2,(H2,23,26).
What are the key properties of 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide?
2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 473.58 g/mol, XLogP of 3.18, 9 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2-(phenoxymethyl)-1,3-thiazol-4-yl]methoxy]-5-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 55989056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).