N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide

C19H21Cl2N3O2S — CID 23397354

IUPACN-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O2S/c1-12(25)23-8-9-24-18(26)11-27-19(14-4-2-3-5-16(14)21)15-10-13(20)6-7-17(15)22/h2-7,10,19H,8-9,11,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyTYAQRVHSAOAGRS-UHFFFAOYSA-N
MW426.37 g/mol
LogP3.65
Rot. Bonds8

About N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide

N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide (PubChem CID 23397354) has the molecular formula C19H21Cl2N3O2S and a molecular weight of 426.37 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide
PubChem CID23397354
Molecular FormulaC19H21Cl2N3O2S
Molecular Weight426.37 g/mol
Exact Mass425.07
IUPAC NameN-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide
SMILESCC(=O)NCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C19H21Cl2N3O2S/c1-12(25)23-8-9-24-18(26)11-27-19(14-4-2-3-5-16(14)21)15-10-13(20)6-7-17(15)22/h2-7,10,19H,8-9,11,22H2,1H3,(H,23,25)(H,24,26)
InChIKeyTYAQRVHSAOAGRS-UHFFFAOYSA-N
XLogP3.65
TPSA84.22 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.37
LogP ≤ 53.65
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide 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

2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide
CID 23397199
N-[2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylethyl]cyclohexanecarboxamide
CID 23397332
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-[2-(methylamino)ethyl]acetamide
CID 119500116
N-(2-acetamidoethyl)-2-[1-(2,4-dichlorophenyl)ethyl-methylamino]acetamide
CID 47023383
2-(2-amino-5-chlorophenyl)sulfanyl-N-prop-2-ynylacetamide
CID 79527889
1-[(2-amino-5-methylphenyl)-(2-methylphenyl)methyl]sulfanylpropan-2-one
CID 142273330
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-2-bromo-N-methylacetamide;ethane
CID 142893163
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
methyl 2-[(2-amino-5-chlorophenyl)-(1,3-benzothiazol-2-yl)methyl]sulfanylacetate
CID 23397294
N-(2-aminoethyl)-2-(2-chlorophenyl)sulfanylacetamide;hydrochloride
CID 119383840
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
methyl 4-(2-amino-5-chlorophenyl)-3,4-dihydroxybutanoate
CID 171895291

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide?
The IUPAC name of N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide (CID 23397354) is N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide.
What is the SMILES notation for N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide?
The canonical SMILES for N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide is CC(=O)NCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl.
What is the InChIKey of N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide?
The InChIKey is TYAQRVHSAOAGRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21Cl2N3O2S/c1-12(25)23-8-9-24-18(26)11-27-19(14-4-2-3-5-16(14)21)15-10-13(20)6-7-17(15)22/h2-7,10,19H,8-9,11,22H2,1H3,(H,23,25)(H,24,26).
What are the key properties of N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide?
N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide has a molecular weight of 426.37 g/mol, XLogP of 3.65, 8 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide is sourced from PubChem (CID 23397354), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).