2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide

C16H25ClN2O5S — CID 113157009

IUPAC2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O5S/c1-5-6-7-8-18-16(20)11-19(25(4,21)22)13-10-14(23-2)12(17)9-15(13)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyXRKBWKFFDPEMHS-UHFFFAOYSA-N
MW392.91 g/mol
LogP2.43
Rot. Bonds10

About 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide

2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide (PubChem CID 113157009) has the molecular formula C16H25ClN2O5S and a molecular weight of 392.91 g/mol. Its IUPAC name is 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide.

Molecular Properties

Compound Name2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
PubChem CID113157009
Molecular FormulaC16H25ClN2O5S
Molecular Weight392.91 g/mol
Exact Mass392.12
IUPAC Name2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide
SMILESCCCCCNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H25ClN2O5S/c1-5-6-7-8-18-16(20)11-19(25(4,21)22)13-10-14(23-2)12(17)9-15(13)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,20)
InChIKeyXRKBWKFFDPEMHS-UHFFFAOYSA-N
XLogP2.43
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.91
LogP ≤ 52.43
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

2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-methylacetamide
CID 53278773
2-(4-chloro-2-methoxy-5-methyl-N-methylsulfonylanilino)-N-(3-methylbutyl)acetamide
CID 113157038
N-butyl-2-(2-chloro-N-methylsulfonylanilino)acetamide
CID 113154773
2-(5-chloro-2-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-pentylacetamide
CID 126260091
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2890925
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 125074073
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-[[(3R)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]acetamide
CID 100581819
N-[3-(2-chlorophenyl)propyl]-2-(2-methoxy-5-methyl-N-methylsulfonylanilino)acetamide
CID 30222330
N-[3-(2-chlorophenyl)propyl]-2-(2,5-dimethoxy-N-methylsulfonylanilino)acetamide
CID 30220809
N-pentyl-2-(2,4,6-trimethyl-N-methylsulfonylanilino)acetamide
CID 30269796
N-[2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)ethyl]cyclopropanecarboxamide
CID 113072076
N-butyl-2-(2,5-dichloro-4-methoxyphenyl)acetamide
CID 110769539

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide?
The IUPAC name of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide (CID 113157009) is 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide.
What is the SMILES notation for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide?
The canonical SMILES for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide is CCCCCNC(=O)CN(c1cc(OC)c(Cl)cc1OC)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide?
The InChIKey is XRKBWKFFDPEMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25ClN2O5S/c1-5-6-7-8-18-16(20)11-19(25(4,21)22)13-10-14(23-2)12(17)9-15(13)24-3/h9-10H,5-8,11H2,1-4H3,(H,18,20).
What are the key properties of 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide?
2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide has a molecular weight of 392.91 g/mol, XLogP of 2.43, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-dimethoxy-N-methylsulfonylanilino)-N-pentylacetamide is sourced from PubChem (CID 113157009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).