N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide

C21H21N3O3S2 — CID 2464322

IUPACN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O3S2/c1-16-15-28-21(22-16)24(18-9-3-2-4-10-18)20(25)17-8-7-11-19(14-17)29(26,27)23-12-5-6-13-23/h2-4,7-11,14-15H,5-6,12-13H2,1H3
InChIKeyQADNJCIFFPIVSG-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.21
Rot. Bonds5

About N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide

N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2464322) has the molecular formula C21H21N3O3S2 and a molecular weight of 427.55 g/mol. Its IUPAC name is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2464322
Molecular FormulaC21H21N3O3S2
Molecular Weight427.55 g/mol
Exact Mass427.10
IUPAC NameN-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)n1
InChIInChI=1S/C21H21N3O3S2/c1-16-15-28-21(22-16)24(18-9-3-2-4-10-18)20(25)17-8-7-11-19(14-17)29(26,27)23-12-5-6-13-23/h2-4,7-11,14-15H,5-6,12-13H2,1H3
InChIKeyQADNJCIFFPIVSG-UHFFFAOYSA-N
XLogP4.21
TPSA70.58 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2464322) is N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide is Cc1csc(N(C(=O)c2cccc(S(=O)(=O)N3CCCC3)c2)c2ccccc2)n1.
What is the InChIKey of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is QADNJCIFFPIVSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3S2/c1-16-15-28-21(22-16)24(18-9-3-2-4-10-18)20(25)17-8-7-11-19(14-17)29(26,27)23-12-5-6-13-23/h2-4,7-11,14-15H,5-6,12-13H2,1H3.
What are the key properties of N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide?
N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 427.55 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methyl-1,3-thiazol-2-yl)-N-phenyl-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2464322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).