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

C19H23N3O2S — CID 9042175

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-7-9-15(10-8-14)11-22(2)12-19(24)21-16-5-3-4-6-17(16)25-13-18(20)23/h3-10H,11-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyCXKHYLDTPBSTEA-UHFFFAOYSA-N
MW357.48 g/mol
LogP2.64
Rot. Bonds8

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

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (PubChem CID 9042175) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
PubChem CID9042175
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
SMILESCc1ccc(CN(C)CC(=O)Nc2ccccc2SCC(N)=O)cc1
InChIInChI=1S/C19H23N3O2S/c1-14-7-9-15(10-8-14)11-22(2)12-19(24)21-16-5-3-4-6-17(16)25-13-18(20)23/h3-10H,11-13H2,1-2H3,(H2,20,23)(H,21,24)
InChIKeyCXKHYLDTPBSTEA-UHFFFAOYSA-N
XLogP2.64
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 52.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9041843
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]acetamide
CID 55628135
2-[2-[[2-(4-methylphenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27015578
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-4-(4-methylphenyl)-4-oxobutanamide
CID 78810130
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-methyl-N-methylsulfonylanilino)acetamide
CID 55389024
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[cyclopropyl-[(4-methoxyphenyl)methyl]amino]acetamide
CID 8770815
N-(2-methylphenyl)-2-[methyl-[(4-propan-2-ylphenyl)methyl]amino]acetamide
CID 9028527
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(N-benzyl-4-methoxyanilino)acetamide
CID 41479571
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-3-(2,5-dimethylphenoxy)propanamide
CID 78810123

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide (CID 9042175) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is Cc1ccc(CN(C)CC(=O)Nc2ccccc2SCC(N)=O)cc1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
The InChIKey is CXKHYLDTPBSTEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-14-7-9-15(10-8-14)11-22(2)12-19(24)21-16-5-3-4-6-17(16)25-13-18(20)23/h3-10H,11-13H2,1-2H3,(H2,20,23)(H,21,24).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide has a molecular weight of 357.48 g/mol, XLogP of 2.64, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide is sourced from PubChem (CID 9042175), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).