N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

C20H25ClN2O5S — CID 30220809

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C20H25ClN2O5S/c1-27-16-10-11-19(28-2)18(13-16)23(29(3,25)26)14-20(24)22-12-6-8-15-7-4-5-9-17(15)21/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,22,24)
InChIKeyPBLDHUYKALAPAN-UHFFFAOYSA-N
MW440.95 g/mol
LogP2.87
Rot. Bonds10

About N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide

N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (PubChem CID 30220809) has the molecular formula C20H25ClN2O5S and a molecular weight of 440.95 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
PubChem CID30220809
Molecular FormulaC20H25ClN2O5S
Molecular Weight440.95 g/mol
Exact Mass440.12
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(OC)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1
InChIInChI=1S/C20H25ClN2O5S/c1-27-16-10-11-19(28-2)18(13-16)23(29(3,25)26)14-20(24)22-12-6-8-15-7-4-5-9-17(15)21/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,22,24)
InChIKeyPBLDHUYKALAPAN-UHFFFAOYSA-N
XLogP2.87
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.95
LogP ≤ 52.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
2-(2-methoxy-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30243337
N-[3-(2-chlorophenyl)propyl]-2-(2-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220284
2-(2,4-dichloro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30246310
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604
N-[3-(4-chlorophenyl)sulfanylpropyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220878
N-benzyl-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 1102401
N-[3-[(2-chlorophenyl)methylsulfanyl]propyl]-2-(N-(3,4-dimethoxyphenyl)sulfonyl-2,5-dimethoxyanilino)acetamide
CID 43898277
2-(2,5-dimethoxy-N-methylsulfonylanilino)-N-[2-(N-methylanilino)ethyl]acetamide
CID 30220843
N-[3-(2-chlorophenyl)propyl]-2-(4-ethoxy-N-methylsulfonylanilino)acetamide
CID 30220391
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide (CID 30220809) is N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is COc1ccc(OC)c(N(CC(=O)NCCCc2ccccc2Cl)S(C)(=O)=O)c1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
The InChIKey is PBLDHUYKALAPAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O5S/c1-27-16-10-11-19(28-2)18(13-16)23(29(3,25)26)14-20(24)22-12-6-8-15-7-4-5-9-17(15)21/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,22,24).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide has a molecular weight of 440.95 g/mol, XLogP of 2.87, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30220809), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).