N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

C20H27N5O2S — CID 26277682

IUPACN-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)CSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1C
InChIInChI=1S/C20H27N5O2S/c1-14(2)13-28-20-23-22-17(24(20)3)9-10-21-19(27)15-6-4-7-16(12-15)25-11-5-8-18(25)26/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,21,27)
InChIKeyCMLCBBLEWTUMFJ-UHFFFAOYSA-N
MW401.54 g/mol
LogP2.66
Rot. Bonds8

About N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide

N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (PubChem CID 26277682) has the molecular formula C20H27N5O2S and a molecular weight of 401.54 g/mol. Its IUPAC name is N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
PubChem CID26277682
Molecular FormulaC20H27N5O2S
Molecular Weight401.54 g/mol
Exact Mass401.19
IUPAC NameN-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
SMILESCC(C)CSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1C
InChIInChI=1S/C20H27N5O2S/c1-14(2)13-28-20-23-22-17(24(20)3)9-10-21-19(27)15-6-4-7-16(12-15)25-11-5-8-18(25)26/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,21,27)
InChIKeyCMLCBBLEWTUMFJ-UHFFFAOYSA-N
XLogP2.66
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.54
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide 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

N-[2-[4-methyl-5-[[(2R)-oxolan-2-yl]methylsulfanyl]-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 26354087
3-fluoro-N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]benzamide
CID 26335912
N-(2-benzamidoethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 110309392
N-(2-hydroxyethyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 78816876
N-(3-aminobutyl)-3-(2-oxopyrrolidin-1-yl)benzamide;hydrochloride
CID 119496776
N-[2-(4-aminophenyl)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 119548405
3-[[3-(2-oxopyrrolidin-1-yl)benzoyl]amino]-N-propylbenzamide
CID 55705699
N-[3-(dimethylamino)propyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 93174646
N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 9470704
N-(3-hydroxy-2,2,4-trimethylpentyl)-3-(2-oxopyrrolidin-1-yl)benzamide
CID 109381238
3-(2-oxopyrrolidin-1-yl)-N-(3-pyrrolidin-1-ium-1-ylpropyl)benzamide
CID 3561777
N-[2-(N-methylanilino)ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide
CID 94476724

Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The IUPAC name of N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide (CID 26277682) is N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide.
What is the SMILES notation for N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The canonical SMILES for N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is CC(C)CSc1nnc(CCNC(=O)c2cccc(N3CCCC3=O)c2)n1C.
What is the InChIKey of N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
The InChIKey is CMLCBBLEWTUMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N5O2S/c1-14(2)13-28-20-23-22-17(24(20)3)9-10-21-19(27)15-6-4-7-16(12-15)25-11-5-8-18(25)26/h4,6-7,12,14H,5,8-11,13H2,1-3H3,(H,21,27).
What are the key properties of N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide?
N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide has a molecular weight of 401.54 g/mol, XLogP of 2.66, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-5-(2-methylpropylsulfanyl)-1,2,4-triazol-3-yl]ethyl]-3-(2-oxopyrrolidin-1-yl)benzamide is sourced from PubChem (CID 26277682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).