1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

C18H21N3O3S2 — CID 60548466

IUPAC1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21N3O3S2/c22-17(20-18-19-9-11-25-18)16-6-3-10-21(16)26(23,24)15-8-7-13-4-1-2-5-14(13)12-15/h7-9,11-12,16H,1-6,10H2,(H,19,20,22)
InChIKeyCYDQDVQIILUPHV-UHFFFAOYSA-N
MW391.52 g/mol
LogP2.81
Rot. Bonds4

About 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide

1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (PubChem CID 60548466) has the molecular formula C18H21N3O3S2 and a molecular weight of 391.52 g/mol. Its IUPAC name is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
PubChem CID60548466
Molecular FormulaC18H21N3O3S2
Molecular Weight391.52 g/mol
Exact Mass391.10
IUPAC Name1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
SMILESO=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2
InChIInChI=1S/C18H21N3O3S2/c22-17(20-18-19-9-11-25-18)16-6-3-10-21(16)26(23,24)15-8-7-13-4-1-2-5-14(13)12-15/h7-9,11-12,16H,1-6,10H2,(H,19,20,22)
InChIKeyCYDQDVQIILUPHV-UHFFFAOYSA-N
XLogP2.81
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.52
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide (CID 60548466) is 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is O=C(Nc1nccs1)C1CCCN1S(=O)(=O)c1ccc2c(c1)CCCC2.
What is the InChIKey of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
The InChIKey is CYDQDVQIILUPHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N3O3S2/c22-17(20-18-19-9-11-25-18)16-6-3-10-21(16)26(23,24)15-8-7-13-4-1-2-5-14(13)12-15/h7-9,11-12,16H,1-6,10H2,(H,19,20,22).
What are the key properties of 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide?
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide has a molecular weight of 391.52 g/mol, XLogP of 2.81, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 60548466), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).