N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

C20H25ClN2O4S — CID 30222330

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-15-10-11-19(27-2)18(13-15)23(28(3,25)26)14-20(24)22-12-6-8-16-7-4-5-9-17(16)21/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,22,24)
InChIKeyMEPSBWGKMNYRIC-UHFFFAOYSA-N
MW424.95 g/mol
LogP3.17
Rot. Bonds9

About N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide

N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (PubChem CID 30222330) has the molecular formula C20H25ClN2O4S and a molecular weight of 424.95 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
PubChem CID30222330
Molecular FormulaC20H25ClN2O4S
Molecular Weight424.95 g/mol
Exact Mass424.12
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
SMILESCOc1ccc(C)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O
InChIInChI=1S/C20H25ClN2O4S/c1-15-10-11-19(27-2)18(13-15)23(28(3,25)26)14-20(24)22-12-6-8-16-7-4-5-9-17(16)21/h4-5,7,9-11,13H,6,8,12,14H2,1-3H3,(H,22,24)
InChIKeyMEPSBWGKMNYRIC-UHFFFAOYSA-N
XLogP3.17
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.95
LogP ≤ 53.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
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
N-[3-(2-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)acetamide
CID 30220173
N-[(2-chlorophenyl)methyl]-2-(2-methoxy-N-methylsulfonylanilino)acetamide
CID 1210502
2-[2-chloro-N-methylsulfonyl-5-(trifluoromethyl)anilino]-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30225307
N-(2-benzylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 2292014
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[3-[(3-methylphenyl)methylsulfanyl]propyl]acetamide
CID 30222390
2-(2-fluoro-N-methylsulfonylanilino)-N-[3-(2-methoxyphenyl)propyl]acetamide
CID 30221676
N-(2-tert-butylsulfanylethyl)-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 3969796
2-(2-methoxy-5-methyl-N-methylsulfonylanilino)-N-[2-(4-methylphenyl)sulfanylethyl]acetamide
CID 2283290

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide (CID 30222330) is N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is COc1ccc(C)cc1N(CC(=O)NCCCc1ccccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
The InChIKey is MEPSBWGKMNYRIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25ClN2O4S/c1-15-10-11-19(27-2)18(13-15)23(28(3,25)26)14-20(24)22-12-6-8-16-7-4-5-9-17(16)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-methoxy-5-methyl-N-methylsulfonylanilino)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide has a molecular weight of 424.95 g/mol, XLogP of 3.17, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide is sourced from PubChem (CID 30222330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).