N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide

C19H23ClN2O3S — CID 9165246

IUPACN-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-9-10-17(12-15(14)2)26(24,25)22-11-5-8-19(23)21-13-16-6-3-4-7-18(16)20/h3-4,6-7,9-10,12,22H,5,8,11,13H2,1-2H3,(H,21,23)
InChIKeyYDYPGTOPWYCEHC-UHFFFAOYSA-N
MW394.92 g/mol
LogP3.33
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide

N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide (PubChem CID 9165246) has the molecular formula C19H23ClN2O3S and a molecular weight of 394.92 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
PubChem CID9165246
Molecular FormulaC19H23ClN2O3S
Molecular Weight394.92 g/mol
Exact Mass394.11
IUPAC NameN-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
SMILESCc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccccc2Cl)cc1C
InChIInChI=1S/C19H23ClN2O3S/c1-14-9-10-17(12-15(14)2)26(24,25)22-11-5-8-19(23)21-13-16-6-3-4-7-18(16)20/h3-4,6-7,9-10,12,22H,5,8,11,13H2,1-2H3,(H,21,23)
InChIKeyYDYPGTOPWYCEHC-UHFFFAOYSA-N
XLogP3.33
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.92
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

4-[(3,4-dimethylphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]butanamide
CID 9246232
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 24639574
N-[(2-chlorophenyl)methyl]-3-[[4-(trifluoromethoxy)phenyl]sulfonylamino]propanamide
CID 26692097
N-[(2-chlorophenyl)methyl]-2-(3,4-dimethylphenyl)acetamide
CID 2679540
3-[(3,4-dimethylphenyl)sulfonylamino]-N-propylpropanamide
CID 32736543
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[3-[2-[2-(2-chlorophenoxy)acetyl]hydrazinyl]-3-oxopropyl]-3,4-dimethylbenzenesulfonamide
CID 27567260
N-[(2-chlorophenyl)methyl]-N'-(3,4-dimethylphenyl)propanediamide
CID 108946594
N-[(2-chlorophenyl)methyl]tetradecanamide
CID 54789460
N-[(2-chlorophenyl)methyl]-4-(propylsulfamoyl)benzamide
CID 109057991
4-amino-N-[(2-chlorophenyl)methyl]butanamide
CID 22692149

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide (CID 9165246) is N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide is Cc1ccc(S(=O)(=O)NCCCC(=O)NCc2ccccc2Cl)cc1C.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide?
The InChIKey is YDYPGTOPWYCEHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O3S/c1-14-9-10-17(12-15(14)2)26(24,25)22-11-5-8-19(23)21-13-16-6-3-4-7-18(16)20/h3-4,6-7,9-10,12,22H,5,8,11,13H2,1-2H3,(H,21,23).
What are the key properties of N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide?
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide has a molecular weight of 394.92 g/mol, XLogP of 3.33, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide is sourced from PubChem (CID 9165246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).