2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide

C19H22Cl2N2O2S — CID 23397199

IUPAC2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O2S/c1-25-10-4-9-23-18(24)12-26-19(14-5-2-3-6-16(14)21)15-11-13(20)7-8-17(15)22/h2-3,5-8,11,19H,4,9-10,12,22H2,1H3,(H,23,24)
InChIKeyITZYJOHVYQFGGX-UHFFFAOYSA-N
MW413.37 g/mol
LogP4.55
Rot. Bonds9

About 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide

2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide (PubChem CID 23397199) has the molecular formula C19H22Cl2N2O2S and a molecular weight of 413.37 g/mol. Its IUPAC name is 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide.

Molecular Properties

Compound Name2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide
PubChem CID23397199
Molecular FormulaC19H22Cl2N2O2S
Molecular Weight413.37 g/mol
Exact Mass412.08
IUPAC Name2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide
SMILESCOCCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl
InChIInChI=1S/C19H22Cl2N2O2S/c1-25-10-4-9-23-18(24)12-26-19(14-5-2-3-6-16(14)21)15-11-13(20)7-8-17(15)22/h2-3,5-8,11,19H,4,9-10,12,22H2,1H3,(H,23,24)
InChIKeyITZYJOHVYQFGGX-UHFFFAOYSA-N
XLogP4.55
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.37
LogP ≤ 54.55
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanylacetamide
CID 23397354
2-[(4-chlorophenyl)-phenylmethyl]sulfanyl-N-(2-methoxyethyl)acetamide
CID 51139553
(2R)-2-(2-chlorophenyl)-2-(4-methoxybutylcarbamoylamino)acetic acid
CID 107316037
2-(2-chlorophenyl)sulfanyl-N-(2-methoxyethyl)acetamide
CID 112778862
2-(4-chlorophenyl)sulfanyl-N-(3-methoxypropyl)acetamide
CID 2273690
N-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]-N',N'-bis(2-methoxyethyl)ethane-1,2-diamine
CID 10971964
2-(4-chloro-2-methylphenyl)-N-(3-methoxypropyl)acetamide
CID 67968197
3-(2,4-dichlorophenyl)-N-(3-methoxypropyl)propanamide
CID 94001130
N-[3-[[2-[(R)-(4-chlorophenyl)-phenylmethyl]sulfanylacetyl]amino]propyl]-2-methylpropanamide
CID 97077393
[2-(3-methoxypropylamino)-2-oxoethyl] 2-amino-6-chlorobenzoate
CID 63662025
4-(2,4-dichlorophenoxy)-N-(3-methoxypropyl)butanamide
CID 2227549
2-[[5-(2,4-dichlorophenyl)-4-phenyl-1,2,4-triazol-3-yl]sulfanyl]-N-(3-methoxypropyl)acetamide
CID 41232336

Frequently Asked Questions

What is the IUPAC name of 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide?
The IUPAC name of 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide (CID 23397199) is 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide.
What is the SMILES notation for 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide?
The canonical SMILES for 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide is COCCCNC(=O)CSC(c1cc(Cl)ccc1N)c1ccccc1Cl.
What is the InChIKey of 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide?
The InChIKey is ITZYJOHVYQFGGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22Cl2N2O2S/c1-25-10-4-9-23-18(24)12-26-19(14-5-2-3-6-16(14)21)15-11-13(20)7-8-17(15)22/h2-3,5-8,11,19H,4,9-10,12,22H2,1H3,(H,23,24).
What are the key properties of 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide?
2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide has a molecular weight of 413.37 g/mol, XLogP of 4.55, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-amino-5-chlorophenyl)-(2-chlorophenyl)methyl]sulfanyl-N-(3-methoxypropyl)acetamide is sourced from PubChem (CID 23397199), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).