N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide

C18H20ClN3O2S — CID 9041843

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2S/c1-22(10-13-5-4-6-14(19)9-13)11-18(24)21-15-7-2-3-8-16(15)25-12-17(20)23/h2-9H,10-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeySYRRYWNDDYVTNH-UHFFFAOYSA-N
MW377.90 g/mol
LogP2.99
Rot. Bonds8

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide (PubChem CID 9041843) has the molecular formula C18H20ClN3O2S and a molecular weight of 377.90 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
PubChem CID9041843
Molecular FormulaC18H20ClN3O2S
Molecular Weight377.90 g/mol
Exact Mass377.10
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide
SMILESCN(CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(Cl)c1
InChIInChI=1S/C18H20ClN3O2S/c1-22(10-13-5-4-6-14(19)9-13)11-18(24)21-15-7-2-3-8-16(15)25-12-17(20)23/h2-9H,10-12H2,1H3,(H2,20,23)(H,21,24)
InChIKeySYRRYWNDDYVTNH-UHFFFAOYSA-N
XLogP2.99
TPSA75.43 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.90
LogP ≤ 52.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[methyl-[(4-methylphenyl)methyl]amino]acetamide
CID 9042175
4-[[[2-[2-(2-amino-2-oxoethyl)sulfanylanilino]-2-oxoethyl]-methylamino]methyl]-N-methylbenzamide
CID 37213846
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-ethylphenyl)acetamide
CID 26510093
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl-methylamino]acetamide
CID 55628135
2-[(3-chlorophenyl)methyl-methylamino]-N-(2-methoxyphenyl)acetamide
CID 9251272
N-(3-chlorophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251258
2-[2-[[2-(2,5-dichlorophenyl)sulfanylacetyl]amino]phenyl]sulfanylacetamide
CID 27717418
2-[(4-chlorophenyl)methyl-methylamino]-N-(2-methylsulfanylphenyl)acetamide
CID 2698816
2-[(3-chlorophenyl)methyl-methylamino]-N-(4-fluorophenyl)acetamide
CID 9251256
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
1-[(3-chlorophenyl)methyl-methylamino]propan-2-one
CID 60650818
N-(4-chloro-2-nitrophenyl)-2-[(3-chlorophenyl)methyl-methylamino]acetamide
CID 9251343

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide (CID 9041843) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide is CN(CC(=O)Nc1ccccc1SCC(N)=O)Cc1cccc(Cl)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
The InChIKey is SYRRYWNDDYVTNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20ClN3O2S/c1-22(10-13-5-4-6-14(19)9-13)11-18(24)21-15-7-2-3-8-16(15)25-12-17(20)23/h2-9H,10-12H2,1H3,(H2,20,23)(H,21,24).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-[(3-chlorophenyl)methyl-methylamino]acetamide has a molecular weight of 377.90 g/mol, XLogP of 2.99, 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-[(3-chlorophenyl)methyl-methylamino]acetamide is sourced from PubChem (CID 9041843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).