2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide

C23H29N3O3S — CID 43057549

IUPAC2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O3S/c1-18-6-5-9-20(14-18)25-23(28)17-30-16-22(27)24-15-21(19-7-3-2-4-8-19)26-10-12-29-13-11-26/h2-9,14,21H,10-13,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHPSZTSXVHKQJNF-UHFFFAOYSA-N
MW427.57 g/mol
LogP2.86
Rot. Bonds9

About 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide

2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide (PubChem CID 43057549) has the molecular formula C23H29N3O3S and a molecular weight of 427.57 g/mol. Its IUPAC name is 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide.

Molecular Properties

Compound Name2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
PubChem CID43057549
Molecular FormulaC23H29N3O3S
Molecular Weight427.57 g/mol
Exact Mass427.19
IUPAC Name2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide
SMILESCc1cccc(NC(=O)CSCC(=O)NCC(c2ccccc2)N2CCOCC2)c1
InChIInChI=1S/C23H29N3O3S/c1-18-6-5-9-20(14-18)25-23(28)17-30-16-22(27)24-15-21(19-7-3-2-4-8-19)26-10-12-29-13-11-26/h2-9,14,21H,10-13,15-17H2,1H3,(H,24,27)(H,25,28)
InChIKeyHPSZTSXVHKQJNF-UHFFFAOYSA-N
XLogP2.86
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.57
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide;hydrochloride
CID 154856473
3-(2-amino-2-oxoethyl)sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)propanamide
CID 43057620
N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-methylsulfonylpropanamide
CID 110623787
2-(4-fluorophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]acetamide
CID 112506492
N-(2-morpholin-4-yl-2-phenylethyl)-2-(2,4,6-trimethylphenoxy)acetamide
CID 46569876
(2R)-2-amino-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]propanamide
CID 119849688
N-[2-(4-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide
CID 18588986
3-amino-2-methyl-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]-3-phenylpropanamide;dihydrochloride
CID 119849677
1-(3-methylbutyl)-3-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]urea
CID 110304148
2-[2-(2-hydroxyanilino)-2-oxoethyl]sulfanyl-N-(3-methylphenyl)acetamide
CID 51284419
N-[2-(dimethylamino)-2-(2-methoxyphenyl)ethyl]-2-[2-(3-methylanilino)-2-oxoethyl]sulfanylacetamide
CID 43011556
N'-(4-aminophenyl)-N-[2-(3-methylphenyl)-2-morpholin-4-ylethyl]oxamide
CID 166237377

Frequently Asked Questions

What is the IUPAC name of 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The IUPAC name of 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide (CID 43057549) is 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide.
What is the SMILES notation for 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The canonical SMILES for 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide is Cc1cccc(NC(=O)CSCC(=O)NCC(c2ccccc2)N2CCOCC2)c1.
What is the InChIKey of 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
The InChIKey is HPSZTSXVHKQJNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3S/c1-18-6-5-9-20(14-18)25-23(28)17-30-16-22(27)24-15-21(19-7-3-2-4-8-19)26-10-12-29-13-11-26/h2-9,14,21H,10-13,15-17H2,1H3,(H,24,27)(H,25,28).
What are the key properties of 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide?
2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide has a molecular weight of 427.57 g/mol, XLogP of 2.86, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(3-methylanilino)-2-oxoethyl]sulfanyl-N-(2-morpholin-4-yl-2-phenylethyl)acetamide is sourced from PubChem (CID 43057549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).