N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

C23H27N3O4S — CID 55657173

IUPACN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N1CCCC1=O
InChIInChI=1S/C23H27N3O4S/c1-15-6-8-17(9-7-15)24-21(27)14-31-16(2)23(29)25-18-10-11-20(30-3)19(13-18)26-12-4-5-22(26)28/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyPEGNFHHYINQCOG-UHFFFAOYSA-N
MW441.55 g/mol
LogP3.83
Rot. Bonds8

About N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide

N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (PubChem CID 55657173) has the molecular formula C23H27N3O4S and a molecular weight of 441.55 g/mol. Its IUPAC name is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.

Molecular Properties

Compound NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
PubChem CID55657173
Molecular FormulaC23H27N3O4S
Molecular Weight441.55 g/mol
Exact Mass441.17
IUPAC NameN-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
SMILESCOc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N1CCCC1=O
InChIInChI=1S/C23H27N3O4S/c1-15-6-8-17(9-7-15)24-21(27)14-31-16(2)23(29)25-18-10-11-20(30-3)19(13-18)26-12-4-5-22(26)28/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,24,27)(H,25,29)
InChIKeyPEGNFHHYINQCOG-UHFFFAOYSA-N
XLogP3.83
TPSA87.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.55
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[2-(4-methylanilino)-2-oxoethyl]sulfanyl-N-[4-(2-oxopyrrolidin-1-yl)phenyl]propanamide
CID 46421016
N-(3-amino-4-methoxyphenyl)-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide
CID 119419433
2-amino-3-methoxy-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 120985846
3-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]butanamide
CID 119724596
N-(4-ethylphenyl)-2-[4-methoxy-3-(2-oxopyrrolidin-1-yl)anilino]propanamide
CID 55684188
N'-(2-methoxy-5-methylphenyl)-N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]oxamide
CID 30679617
2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]-2-(4-methylphenyl)acetamide;hydrochloride
CID 120666903
(2S)-2-amino-N-[4-methoxy-3-(2-oxopiperidin-1-yl)phenyl]-3,3-dimethylbutanamide;hydrochloride
CID 119724577
(2R)-2-amino-N-[3-methoxy-4-(2-oxopyrrolidin-1-yl)phenyl]propanamide;hydrochloride
CID 119276490
3-[3-methoxy-4-(2-oxopyrrolidin-1-yl)anilino]-3-oxopropanoic acid
CID 62232072
1-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-[(2S)-1-(2-oxopyrrolidin-1-yl)propan-2-yl]urea
CID 95283473
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-3-(4-methoxyphenyl)propanamide
CID 7687070

Frequently Asked Questions

What is the IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The IUPAC name of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide (CID 55657173) is N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide.
What is the SMILES notation for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The canonical SMILES for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is COc1ccc(NC(=O)C(C)SCC(=O)Nc2ccc(C)cc2)cc1N1CCCC1=O.
What is the InChIKey of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
The InChIKey is PEGNFHHYINQCOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O4S/c1-15-6-8-17(9-7-15)24-21(27)14-31-16(2)23(29)25-18-10-11-20(30-3)19(13-18)26-12-4-5-22(26)28/h6-11,13,16H,4-5,12,14H2,1-3H3,(H,24,27)(H,25,29).
What are the key properties of N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide?
N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide has a molecular weight of 441.55 g/mol, XLogP of 3.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-methoxy-3-(2-oxopyrrolidin-1-yl)phenyl]-2-[2-(4-methylanilino)-2-oxoethyl]sulfanylpropanamide is sourced from PubChem (CID 55657173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).