N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide

C21H25N3O2S — CID 94493854

IUPACN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)ccc1N1CCNC1=O
InChIInChI=1S/C21H25N3O2S/c1-14-13-16(8-9-17(14)24-11-10-22-21(24)26)20(25)23-19(15-5-2-3-6-15)18-7-4-12-27-18/h4,7-9,12-13,15,19H,2-3,5-6,10-11H2,1H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyWVEWHPCUIOXYAU-LJQANCHMSA-N
MW383.52 g/mol
LogP4.25
Rot. Bonds5

About N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide

N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide (PubChem CID 94493854) has the molecular formula C21H25N3O2S and a molecular weight of 383.52 g/mol. Its IUPAC name is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
PubChem CID94493854
Molecular FormulaC21H25N3O2S
Molecular Weight383.52 g/mol
Exact Mass383.17
IUPAC NameN-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide
SMILESCc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)ccc1N1CCNC1=O
InChIInChI=1S/C21H25N3O2S/c1-14-13-16(8-9-17(14)24-11-10-22-21(24)26)20(25)23-19(15-5-2-3-6-15)18-7-4-12-27-18/h4,7-9,12-13,15,19H,2-3,5-6,10-11H2,1H3,(H,22,26)(H,23,25)/t19-/m1/s1
InChIKeyWVEWHPCUIOXYAU-LJQANCHMSA-N
XLogP4.25
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.52
LogP ≤ 54.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The IUPAC name of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide (CID 94493854) is N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide.
What is the SMILES notation for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The canonical SMILES for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide is Cc1cc(C(=O)N[C@@H](c2cccs2)C2CCCC2)ccc1N1CCNC1=O.
What is the InChIKey of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
The InChIKey is WVEWHPCUIOXYAU-LJQANCHMSA-N. The full InChI is InChI=1S/C21H25N3O2S/c1-14-13-16(8-9-17(14)24-11-10-22-21(24)26)20(25)23-19(15-5-2-3-6-15)18-7-4-12-27-18/h4,7-9,12-13,15,19H,2-3,5-6,10-11H2,1H3,(H,22,26)(H,23,25)/t19-/m1/s1.
What are the key properties of N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide?
N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide has a molecular weight of 383.52 g/mol, XLogP of 4.25, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-cyclopentyl(thiophen-2-yl)methyl]-3-methyl-4-(2-oxoimidazolidin-1-yl)benzamide is sourced from PubChem (CID 94493854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).