N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

C14H21ClN2O3S — CID 113135966

IUPACN-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-8-17(21(3,19)20)9-7-14(18)16-13-10-12(15)6-5-11(13)2/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyGNVMPJIERCFDRU-UHFFFAOYSA-N
MW332.85 g/mol
LogP2.65
Rot. Bonds7

About N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113135966) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113135966
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-4-8-17(21(3,19)20)9-7-14(18)16-13-10-12(15)6-5-11(13)2/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyGNVMPJIERCFDRU-UHFFFAOYSA-N
XLogP2.65
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729
N-(5-chloro-2-methylphenyl)decanamide
CID 5144260
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
N-(5-chloro-2-methylphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343380
N-(5-chloro-2-methylphenyl)-3-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]propanamide
CID 113147399
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
N-(5-chloro-2-methylphenyl)-4-(4-fluoro-N-methylsulfonylanilino)butanamide
CID 21173354
N,N'-bis(5-chloro-2-methylphenyl)propanediamide
CID 1340673
N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[acetyl(cyclopropyl)amino]-N-(5-chloro-2-methylphenyl)propanamide
CID 113115433

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (CID 113135966) is N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1cc(Cl)ccc1C)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is GNVMPJIERCFDRU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-4-8-17(21(3,19)20)9-7-14(18)16-13-10-12(15)6-5-11(13)2/h5-6,10H,4,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide has a molecular weight of 332.85 g/mol, XLogP of 2.65, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113135966), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).