(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide

C21H27N3O3S2 — CID 50831255

IUPAC(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H27N3O3S2/c1-15-23-18(14-28-15)10-11-22-21(25)20-7-4-12-24(20)29(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeySPTFIJHAOWCRCG-HXUWFJFHSA-N
MW433.60 g/mol
LogP2.84
Rot. Bonds6

About (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide

(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide (PubChem CID 50831255) has the molecular formula C21H27N3O3S2 and a molecular weight of 433.60 g/mol. Its IUPAC name is (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
PubChem CID50831255
Molecular FormulaC21H27N3O3S2
Molecular Weight433.60 g/mol
Exact Mass433.15
IUPAC Name(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide
SMILESCc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1
InChIInChI=1S/C21H27N3O3S2/c1-15-23-18(14-28-15)10-11-22-21(25)20-7-4-12-24(20)29(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m1/s1
InChIKeySPTFIJHAOWCRCG-HXUWFJFHSA-N
XLogP2.84
TPSA79.37 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.60
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide 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

(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(4-propan-2-ylphenyl)sulfonylpyrrolidine-2-carboxamide
CID 50831293
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 75554450
(2R)-1-(4-acetylphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 46385719
1-(4-methoxyphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 75554182
1-(3-chlorophenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 75554214
1-(benzenesulfonyl)-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 75554371
(2R)-1-(4-ethoxyphenyl)sulfonyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50829110
(2R)-1-[(3-methyl-2-oxo-1,3-benzoxazol-6-yl)sulfonyl]-N-[(2-methyl-1,3-thiazol-4-yl)methyl]pyrrolidine-2-carboxamide
CID 50828997
N-[(2-methyl-1,3-thiazol-4-yl)methyl]-1-[4-(propanoylamino)phenyl]sulfonylpyrrolidine-2-carboxamide
CID 75554209
1-(benzenesulfonyl)-N-[2-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]ethyl]piperidine-2-carboxamide
CID 46532670
(2R)-1-(3-chlorophenyl)sulfonyl-N-[2-(2-phenyl-1,3-thiazol-4-yl)ethyl]pyrrolidine-2-carboxamide
CID 50831240
1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)-N-(1,3-thiazol-2-yl)pyrrolidine-2-carboxamide
CID 60548466

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The IUPAC name of (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide (CID 50831255) is (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The canonical SMILES for (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide is Cc1nc(CCNC(=O)[C@H]2CCCN2S(=O)(=O)c2ccc3c(c2)CCCC3)cs1.
What is the InChIKey of (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
The InChIKey is SPTFIJHAOWCRCG-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H27N3O3S2/c1-15-23-18(14-28-15)10-11-22-21(25)20-7-4-12-24(20)29(26,27)19-9-8-16-5-2-3-6-17(16)13-19/h8-9,13-14,20H,2-7,10-12H2,1H3,(H,22,25)/t20-/m1/s1.
What are the key properties of (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide?
(2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide has a molecular weight of 433.60 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-1-(5,6,7,8-tetrahydronaphthalen-2-ylsulfonyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 50831255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).