N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

C21H25N3O3S — CID 8770815

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2SCC(N)=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)13-21(26)23-18-4-2-3-5-19(18)28-14-20(22)25/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyAFYKDGPAZRRESR-UHFFFAOYSA-N
MW399.52 g/mol
LogP2.88
Rot. Bonds10

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (PubChem CID 8770815) has the molecular formula C21H25N3O3S and a molecular weight of 399.52 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
PubChem CID8770815
Molecular FormulaC21H25N3O3S
Molecular Weight399.52 g/mol
Exact Mass399.16
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
SMILESCOc1ccc(CN(CC(=O)Nc2ccccc2SCC(N)=O)C2CC2)cc1
InChIInChI=1S/C21H25N3O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)13-21(26)23-18-4-2-3-5-19(18)28-14-20(22)25/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,22,25)(H,23,26)
InChIKeyAFYKDGPAZRRESR-UHFFFAOYSA-N
XLogP2.88
TPSA84.66 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.52
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
CID 41479571
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,5-dimethoxyphenyl)acetamide
CID 8769999
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(2,4,5-trichlorophenyl)acetamide
CID 8769959
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9042175
N-(3-acetamidophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 86908948
N-(2-bromo-4-methylphenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770119
N-(4-chlorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770105
N-(2-chloro-4-fluorophenyl)-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770040
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(4-methoxy-2-nitrophenyl)acetamide
CID 8770143
N'-acetyl-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetohydrazide
CID 8770707
2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 8770322
methyl 4-[[2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetyl]amino]benzoate
CID 8770093

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide (CID 8770815) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is COc1ccc(CN(CC(=O)Nc2ccccc2SCC(N)=O)C2CC2)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
The InChIKey is AFYKDGPAZRRESR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O3S/c1-27-17-10-6-15(7-11-17)12-24(16-8-9-16)13-21(26)23-18-4-2-3-5-19(18)28-14-20(22)25/h2-7,10-11,16H,8-9,12-14H2,1H3,(H2,22,25)(H,23,26).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide has a molecular weight of 399.52 g/mol, XLogP of 2.88, 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-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide is sourced from PubChem (CID 8770815), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).