N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide

C24H25N3O3S — CID 41479571

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2SCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-20-13-11-19(12-14-20)27(15-18-7-3-2-4-8-18)16-24(29)26-21-9-5-6-10-22(21)31-17-23(25)28/h2-14H,15-17H2,1H3,(H2,25,28)(H,26,29)
InChIKeyQYWZPGPJZPBDSA-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.92
Rot. Bonds10

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide (PubChem CID 41479571) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
PubChem CID41479571
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
SMILESCOc1ccc(N(CC(=O)Nc2ccccc2SCC(N)=O)Cc2ccccc2)cc1
InChIInChI=1S/C24H25N3O3S/c1-30-20-13-11-19(12-14-20)27(15-18-7-3-2-4-8-18)16-24(29)26-21-9-5-6-10-22(21)31-17-23(25)28/h2-14H,15-17H2,1H3,(H2,25,28)(H,26,29)
InChIKeyQYWZPGPJZPBDSA-UHFFFAOYSA-N
XLogP3.92
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815
2-(N-benzyl-4-methoxyanilino)-N-[(2-fluorophenyl)carbamoyl]acetamide
CID 16610917
2-(N-benzyl-4-methoxyanilino)-N-propylacetamide
CID 18166490
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9042175
ethyl 4-[2-(N-benzyl-4-methoxyanilino)acetyl]piperazine-1-carboxylate
CID 46508849
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9041843
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
2-[2-[[2-[[4-(4-methoxyphenyl)-5-methyl-1,2,4-triazol-3-yl]sulfanyl]acetyl]amino]phenyl]sulfanylacetamide
CID 46636930
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]acetamide
CID 55628135
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]hexanamide
CID 46421409
2-(N-benzylanilino)-N-(2-bromophenyl)acetamide
CID 109010688

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide (CID 41479571) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide is COc1ccc(N(CC(=O)Nc2ccccc2SCC(N)=O)Cc2ccccc2)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide?
The InChIKey is QYWZPGPJZPBDSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-30-20-13-11-19(12-14-20)27(15-18-7-3-2-4-8-18)16-24(29)26-21-9-5-6-10-22(21)31-17-23(25)28/h2-14H,15-17H2,1H3,(H2,25,28)(H,26,29).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide has a molecular weight of 435.55 g/mol, XLogP of 3.92, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide is sourced from PubChem (CID 41479571), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).