N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

C18H21ClN2O3S — CID 24639574

IUPACN-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-7-8-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-3-4-6-16(15)19/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyZUYBGQWYQPXRKV-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.94
Rot. Bonds7

About N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide

N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (PubChem CID 24639574) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
PubChem CID24639574
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
SMILESCc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2Cl)c1
InChIInChI=1S/C18H21ClN2O3S/c1-13-7-8-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-3-4-6-16(15)19/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyZUYBGQWYQPXRKV-UHFFFAOYSA-N
XLogP2.94
TPSA75.27 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[(2,4-dichlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 35806370
N-[(2,4-dimethylphenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 46587654
N-[(3-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 7478439
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-methylphenyl)methyl]propanamide
CID 24637071
N-[2-(3-chloro-2-methylanilino)-2-oxoethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 27858823
3-[(2,5-dimethylphenyl)sulfonylamino]-N-[(4-fluorophenyl)methyl]propanamide
CID 7478808
N-[(2-chlorophenyl)methyl]-4-[(3,4-dimethylphenyl)sulfonylamino]butanamide
CID 9165246
N-[2-(benzenesulfonyl)ethyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide
CID 55734058
3-[(3-bromophenyl)sulfonylamino]-N-[(2-chlorophenyl)methyl]propanamide
CID 26692180
N-[(2-chlorophenyl)methyl]-3-[(2-methylphenyl)methylamino]propanamide
CID 109019248
N-[(2-chlorophenyl)methyl]-3-[(3-methylphenyl)methylamino]propanamide
CID 109019580
2-(2-chlorophenyl)-N-[4-methyl-3-(methylsulfamoyl)phenyl]acetamide
CID 9107371

Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide (CID 24639574) is N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is Cc1ccc(C)c(S(=O)(=O)NCCC(=O)NCc2ccccc2Cl)c1.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
The InChIKey is ZUYBGQWYQPXRKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-13-7-8-14(2)17(11-13)25(23,24)21-10-9-18(22)20-12-15-5-3-4-6-16(15)19/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide?
N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide has a molecular weight of 380.90 g/mol, XLogP of 2.94, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-3-[(2,5-dimethylphenyl)sulfonylamino]propanamide is sourced from PubChem (CID 24639574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).