N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

C26H29ClN2O3S — CID 30229871

IUPACN-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-19-13-15-23(16-14-19)33(31,32)29(25-12-6-8-20(2)21(25)3)18-26(30)28-17-7-10-22-9-4-5-11-24(22)27/h4-6,8-9,11-16H,7,10,17-18H2,1-3H3,(H,28,30)
InChIKeyMXODSKALCMQFEP-UHFFFAOYSA-N
MW485.05 g/mol
LogP5.21
Rot. Bonds9

About N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide

N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (PubChem CID 30229871) has the molecular formula C26H29ClN2O3S and a molecular weight of 485.05 g/mol. Its IUPAC name is N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.

Molecular Properties

Compound NameN-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
PubChem CID30229871
Molecular FormulaC26H29ClN2O3S
Molecular Weight485.05 g/mol
Exact Mass484.16
IUPAC NameN-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
SMILESCc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2Cl)c2cccc(C)c2C)cc1
InChIInChI=1S/C26H29ClN2O3S/c1-19-13-15-23(16-14-19)33(31,32)29(25-12-6-8-20(2)21(25)3)18-26(30)28-17-7-10-22-9-4-5-11-24(22)27/h4-6,8-9,11-16H,7,10,17-18H2,1-3H3,(H,28,30)
InChIKeyMXODSKALCMQFEP-UHFFFAOYSA-N
XLogP5.21
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500485.05
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(2-chlorophenyl)-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 1303550
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 53279464
2-(2,3-dichloro-N-(4-methylphenyl)sulfonylanilino)-N-propylacetamide
CID 3598869
2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)-N-(2-methylpropyl)acetamide
CID 53280413
N-(3-benzylsulfanylpropyl)-2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30216838
2-[N-(benzenesulfonyl)-3-chloro-2-methylanilino]-N-[(2-methylphenyl)methyl]acetamide
CID 1337995
N-[3-(4-chlorophenyl)propyl]-2-(2-fluoro-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 30215711
N-[3-(2-chlorophenyl)propyl]-2-(N-(4-methoxyphenyl)sulfonylanilino)acetamide
CID 30226854
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]acetamide
CID 3764513
N-[2-(cyclohexen-1-yl)ethyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide
CID 126034524
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-(3,4-dimethylphenyl)acetamide
CID 30172682
2-(3-chloro-2-methyl-N-(4-methylphenyl)sulfonylanilino)-N-[3-[(4-chlorophenyl)methylsulfanyl]propyl]acetamide
CID 43894911

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The IUPAC name of N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide (CID 30229871) is N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide.
What is the SMILES notation for N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The canonical SMILES for N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is Cc1ccc(S(=O)(=O)N(CC(=O)NCCCc2ccccc2Cl)c2cccc(C)c2C)cc1.
What is the InChIKey of N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
The InChIKey is MXODSKALCMQFEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29ClN2O3S/c1-19-13-15-23(16-14-19)33(31,32)29(25-12-6-8-20(2)21(25)3)18-26(30)28-17-7-10-22-9-4-5-11-24(22)27/h4-6,8-9,11-16H,7,10,17-18H2,1-3H3,(H,28,30).
What are the key properties of N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide?
N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide has a molecular weight of 485.05 g/mol, XLogP of 5.21, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-chlorophenyl)propyl]-2-(2,3-dimethyl-N-(4-methylphenyl)sulfonylanilino)acetamide is sourced from PubChem (CID 30229871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).