N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide

C21H24N2O2S — CID 166883400

IUPACN-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCSc1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(C(C)C)c1
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-12-15(16-6-4-5-7-20(16)26-3)8-9-19(17)23-11-10-18(21(23)25)22-13-24/h4-9,12-14,18H,10-11H2,1-3H3,(H,22,24)
InChIKeyXXDRGZXARPIYAG-UHFFFAOYSA-N
MW368.50 g/mol
LogP4.05
Rot. Bonds6

About N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide

N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide (PubChem CID 166883400) has the molecular formula C21H24N2O2S and a molecular weight of 368.50 g/mol. Its IUPAC name is N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide.

Molecular Properties

Compound NameN-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide
PubChem CID166883400
Molecular FormulaC21H24N2O2S
Molecular Weight368.50 g/mol
Exact Mass368.16
IUPAC NameN-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide
SMILESCSc1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(C(C)C)c1
InChIInChI=1S/C21H24N2O2S/c1-14(2)17-12-15(16-6-4-5-7-20(16)26-3)8-9-19(17)23-11-10-18(21(23)25)22-13-24/h4-9,12-14,18H,10-11H2,1-3H3,(H,22,24)
InChIKeyXXDRGZXARPIYAG-UHFFFAOYSA-N
XLogP4.05
TPSA49.41 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.50
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

N-[1-[4-(2-dimethylphosphorylphenyl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883357
N-[1-[4-(2-dimethylphosphanylphenyl)-2-fluoro-3-phosphanylphenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883464
N-[1-[2,3-difluoro-4-(2-fluoro-3-pyridinyl)phenyl]-2-oxopyrrolidin-3-yl]formamide
CID 166883397
N-[1-[4-(4-dimethylphosphorylpyrimidin-5-yl)-2,3-difluorophenyl]-2-oxopyrrolidin-3-yl]formamide
CID 167020175
(2,2-dimethyl-1-sulfonylpropyl)-[2-[3-fluoro-4-[(3S)-3-[(2-methylpropan-2-yl)oxycarbonylamino]-2-oxopyrrolidin-1-yl]phenyl]phenyl]carbamic acid
CID 87981196
3-(2-methylsulfanylphenyl)aniline
CID 68788837
2-[[4-(2-methylsulfanylphenyl)phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
CID 22181596
N-[(3R)-1-[2,3-difluoro-4-(2-methylsulfonylphenyl)phenyl]-2-oxopyrrolidin-3-yl]acetamide
CID 139474435
3-[[1-(2-fluorophenyl)-2-oxopyrrolidin-3-yl]amino]-2-methyl-3-oxopropanoic acid
CID 122065578
(2R)-2-methylsulfanyl-N-[(3R)-2-oxo-1-[2-(trifluoromethyl)phenyl]pyrrolidin-3-yl]propanamide
CID 124618540
1-(4-chloro-2-fluorophenyl)-3-[(3R)-1-[2-cyclopropyl-4-(2-dimethylphosphorylphenyl)phenyl]-2-oxopyrrolidin-3-yl]urea
CID 139454960
1-(1-cyclopropylethyl)-3-(3-fluoro-4-methylsulfanylphenyl)pyrazole-4-carbaldehyde
CID 65456174

Frequently Asked Questions

What is the IUPAC name of N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The IUPAC name of N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide (CID 166883400) is N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide.
What is the SMILES notation for N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The canonical SMILES for N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide is CSc1ccccc1-c1ccc(N2CCC(NC=O)C2=O)c(C(C)C)c1.
What is the InChIKey of N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide?
The InChIKey is XXDRGZXARPIYAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2S/c1-14(2)17-12-15(16-6-4-5-7-20(16)26-3)8-9-19(17)23-11-10-18(21(23)25)22-13-24/h4-9,12-14,18H,10-11H2,1-3H3,(H,22,24).
What are the key properties of N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide?
N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide has a molecular weight of 368.50 g/mol, XLogP of 4.05, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-[4-(2-methylsulfanylphenyl)-2-propan-2-ylphenyl]-2-oxopyrrolidin-3-yl]formamide is sourced from PubChem (CID 166883400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).