4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

C18H17N3O3S3 — CID 2327228

IUPAC4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H17N3O3S3/c22-17(20-18-19-15(12-26-18)16-4-3-11-25-16)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)
InChIKeyXQCHCSNWSFGELX-UHFFFAOYSA-N
MW419.55 g/mol
LogP3.91
Rot. Bonds5

About 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide

4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (PubChem CID 2327228) has the molecular formula C18H17N3O3S3 and a molecular weight of 419.55 g/mol. Its IUPAC name is 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.

Molecular Properties

Compound Name4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
PubChem CID2327228
Molecular FormulaC18H17N3O3S3
Molecular Weight419.55 g/mol
Exact Mass419.04
IUPAC Name4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide
SMILESO=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1
InChIInChI=1S/C18H17N3O3S3/c22-17(20-18-19-15(12-26-18)16-4-3-11-25-16)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22)
InChIKeyXQCHCSNWSFGELX-UHFFFAOYSA-N
XLogP3.91
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.55
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The IUPAC name of 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide (CID 2327228) is 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide.
What is the SMILES notation for 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The canonical SMILES for 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is O=C(Nc1nc(-c2cccs2)cs1)c1ccc(S(=O)(=O)N2CCCC2)cc1.
What is the InChIKey of 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
The InChIKey is XQCHCSNWSFGELX-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N3O3S3/c22-17(20-18-19-15(12-26-18)16-4-3-11-25-16)13-5-7-14(8-6-13)27(23,24)21-9-1-2-10-21/h3-8,11-12H,1-2,9-10H2,(H,19,20,22).
What are the key properties of 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide?
4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide has a molecular weight of 419.55 g/mol, XLogP of 3.91, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-pyrrolidin-1-ylsulfonyl-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)benzamide is sourced from PubChem (CID 2327228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).