2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

C25H27ClN2O4S — CID 30213762

IUPAC2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H27ClN2O4S/c1-19-11-13-24(14-12-19)33(30,31)28(22-9-4-8-21(26)17-22)18-25(29)27-15-5-7-20-6-3-10-23(16-20)32-2/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,27,29)
InChIKeyUUVXWNKXFNYFDF-UHFFFAOYSA-N
MW487.02 g/mol
LogP4.60
Rot. Bonds10

About 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide

2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (PubChem CID 30213762) has the molecular formula C25H27ClN2O4S and a molecular weight of 487.02 g/mol. Its IUPAC name is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
PubChem CID30213762
Molecular FormulaC25H27ClN2O4S
Molecular Weight487.02 g/mol
Exact Mass486.14
IUPAC Name2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
SMILESCOc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1
InChIInChI=1S/C25H27ClN2O4S/c1-19-11-13-24(14-12-19)33(30,31)28(22-9-4-8-21(26)17-22)18-25(29)27-15-5-7-20-6-3-10-23(16-20)32-2/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,27,29)
InChIKeyUUVXWNKXFNYFDF-UHFFFAOYSA-N
XLogP4.60
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500487.02
LogP ≤ 54.60
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

2-(5-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30216577
2-(4-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30228919
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[3-(4-fluorophenyl)propyl]acetamide
CID 30244115
2-(2,4-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30211848
2-[N-(benzenesulfonyl)-3,5-dimethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30176126
N-butyl-2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126128117
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-(2-phenylethyl)acetamide
CID 126134625
2-(N-(4-methoxy-3-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30277462
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30209863
N-[3-[(3-chlorophenyl)methylsulfanyl]propyl]-2-(N-(4-methoxyphenyl)sulfonyl-4-methylanilino)acetamide
CID 43897049
2-(3-chloro-N-(4-methoxyphenyl)sulfonylanilino)-N-[2-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 126182772
2-[N-(benzenesulfonyl)-4-ethylanilino]-N-[3-(3-methoxyphenyl)propyl]acetamide
CID 30229496

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The IUPAC name of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide (CID 30213762) is 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is COc1cccc(CCCNC(=O)CN(c2cccc(Cl)c2)S(=O)(=O)c2ccc(C)cc2)c1.
What is the InChIKey of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
The InChIKey is UUVXWNKXFNYFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27ClN2O4S/c1-19-11-13-24(14-12-19)33(30,31)28(22-9-4-8-21(26)17-22)18-25(29)27-15-5-7-20-6-3-10-23(16-20)32-2/h3-4,6,8-14,16-17H,5,7,15,18H2,1-2H3,(H,27,29).
What are the key properties of 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide?
2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide has a molecular weight of 487.02 g/mol, XLogP of 4.60, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-N-(4-methylphenyl)sulfonylanilino)-N-[3-(3-methoxyphenyl)propyl]acetamide is sourced from PubChem (CID 30213762), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).