(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

C21H24N2O2S — CID 125160348

IUPAC(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccs1
InChIInChI=1S/C21H24N2O2S/c1-20(2)14-21(20,17-5-4-12-26-17)19(25)22-13-15-7-9-16(10-8-15)23-11-3-6-18(23)24/h4-5,7-10,12H,3,6,11,13-14H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyAIZOLQVAFVVCGV-NRFANRHFSA-N
MW368.50 g/mol
LogP3.86
Rot. Bonds5

About (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide

(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (PubChem CID 125160348) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.

Molecular Properties

Compound Name(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
PubChem CID125160348
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC Name(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide
SMILESCC1(C)C[C@@]1(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccs1
InChIInChI=1S/C21H24N2O2S/c1-20(2)14-21(20,17-5-4-12-26-17)19(25)22-13-15-7-9-16(10-8-15)23-11-3-6-18(23)24/h4-5,7-10,12H,3,6,11,13-14H2,1-2H3,(H,22,25)/t21-/m0/s1
InChIKeyAIZOLQVAFVVCGV-NRFANRHFSA-N
XLogP3.86
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide with MolForge

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Related Compounds

N-[[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]methyl]thiophene-2-carboxamide
CID 55756708
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CID 8589532
3-methylsulfonyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]propanamide
CID 134034707
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-4-(thiophen-2-ylmethyl)piperazine-1-carboxamide
CID 30691790
N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]butanamide
CID 24551216
4-(2-oxopyrrolidin-1-yl)-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]benzamide
CID 8589075
N-[4-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 9453685
2-methylsulfanyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 8589226
4-methoxy-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]piperidine-4-carboxamide
CID 119694528
N-[2-[[4-(2-oxopyrrolidin-1-yl)phenyl]methylcarbamoyl]phenyl]thiophene-2-carboxamide
CID 30833133
2-[(R)-ethylsulfinyl]-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]acetamide
CID 97228046
N-[[4-(4-methylpiperazin-1-yl)phenyl]methyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 50944989

Frequently Asked Questions

What is the IUPAC name of (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The IUPAC name of (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide (CID 125160348) is (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide.
What is the SMILES notation for (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The canonical SMILES for (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is CC1(C)C[C@@]1(C(=O)NCc1ccc(N2CCCC2=O)cc1)c1cccs1.
What is the InChIKey of (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
The InChIKey is AIZOLQVAFVVCGV-NRFANRHFSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-20(2)14-21(20,17-5-4-12-26-17)19(25)22-13-15-7-9-16(10-8-15)23-11-3-6-18(23)24/h4-5,7-10,12H,3,6,11,13-14H2,1-2H3,(H,22,25)/t21-/m0/s1.
What are the key properties of (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide?
(1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide has a molecular weight of 368.50 g/mol, XLogP of 3.86, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-2,2-dimethyl-N-[[4-(2-oxopyrrolidin-1-yl)phenyl]methyl]-1-thiophen-2-ylcyclopropane-1-carboxamide is sourced from PubChem (CID 125160348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).