2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

C22H25N3O3S — CID 46421016

IUPAC2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15-5-7-17(8-6-15)23-20(26)14-29-16(2)22(28)24-18-9-11-19(12-10-18)25-13-3-4-21(25)27/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIXAIUWYUJGWCQO-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.82
Rot. Bonds7

About 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (PubChem CID 46421016) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
PubChem CID46421016
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
SMILESCc1ccc(NC(=O)CSC(C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1
InChIInChI=1S/C22H25N3O3S/c1-15-5-7-17(8-6-15)23-20(26)14-29-16(2)22(28)24-18-9-11-19(12-10-18)25-13-3-4-21(25)27/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,28)
InChIKeyIXAIUWYUJGWCQO-UHFFFAOYSA-N
XLogP3.82
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide with MolForge

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Related Compounds

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 55657173
2-[methyl-[2-oxo-2-[4-(2-oxopyrrolidin-1-yl)anilino]ethyl]amino]-N-(4-methylphenyl)acetamide
CID 8786075
[(2S)-1-(4-methylanilino)-1-oxopropan-2-yl] 4-(2-oxopyrrolidin-1-yl)benzoate
CID 7404586
2-amino-2-(4-methylphenyl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide;hydrochloride
CID 120666734
N-(4-bromophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 4535489
N-butan-2-yl-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 43005633
3-oxo-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 18072161
N-(3,5-difluorophenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 134061510
2-(azocan-1-yl)-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 71899235
N-[4-(2-oxopyrrolidin-1-yl)phenyl]acetamide
CID 7686436
N-[4-(2-methylpropanoylamino)phenyl]-4-(2-oxopyrrolidin-1-yl)benzamide
CID 26680013
(2S)-2-amino-3,3-dimethyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]butanamide
CID 61155138

Frequently Asked Questions

What is the IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The IUPAC name of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide (CID 46421016) is 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is Cc1ccc(NC(=O)CSC(C)C(=O)Nc2ccc(N3CCCC3=O)cc2)cc1.
What is the InChIKey of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
The InChIKey is IXAIUWYUJGWCQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-15-5-7-17(8-6-15)23-20(26)14-29-16(2)22(28)24-18-9-11-19(12-10-18)25-13-3-4-21(25)27/h5-12,16H,3-4,13-14H2,1-2H3,(H,23,26)(H,24,28).
What are the key properties of 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide?
2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide has a molecular weight of 411.53 g/mol, XLogP of 3.82, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 46421016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).