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

C16H19N3O4S2 — CID 2679232

IUPAC4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-24-16(17-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyMQMGRHULJJQDGT-UHFFFAOYSA-N
MW381.48 g/mol
LogP2.50
Rot. Bonds5

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

4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (PubChem CID 2679232) has the molecular formula C16H19N3O4S2 and a molecular weight of 381.48 g/mol. Its IUPAC name is 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
PubChem CID2679232
Molecular FormulaC16H19N3O4S2
Molecular Weight381.48 g/mol
Exact Mass381.08
IUPAC Name4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC1
InChIInChI=1S/C16H19N3O4S2/c1-11-10-24-16(17-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20)
InChIKeyMQMGRHULJJQDGT-UHFFFAOYSA-N
XLogP2.50
TPSA88.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.48
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The IUPAC name of 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide (CID 2679232) is 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide.
What is the SMILES notation for 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The canonical SMILES for 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)Nc2nc(C)cs2)cc1S(=O)(=O)N1CCCC1.
What is the InChIKey of 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
The InChIKey is MQMGRHULJJQDGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3O4S2/c1-11-10-24-16(17-11)18-15(20)12-5-6-13(23-2)14(9-12)25(21,22)19-7-3-4-8-19/h5-6,9-10H,3-4,7-8H2,1-2H3,(H,17,18,20).
What are the key properties of 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide?
4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide has a molecular weight of 381.48 g/mol, XLogP of 2.50, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(4-methyl-1,3-thiazol-2-yl)-3-pyrrolidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 2679232), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).