N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

C14H21ClN2O4S — CID 113135971

IUPACN-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-4-8-17(22(3,19)20)9-7-14(18)16-11-5-6-13(21-2)12(15)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyWIYNFVVDPJLUQY-UHFFFAOYSA-N
MW348.85 g/mol
LogP2.35
Rot. Bonds8

About N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide

N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (PubChem CID 113135971) has the molecular formula C14H21ClN2O4S and a molecular weight of 348.85 g/mol. Its IUPAC name is N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.

Molecular Properties

Compound NameN-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
PubChem CID113135971
Molecular FormulaC14H21ClN2O4S
Molecular Weight348.85 g/mol
Exact Mass348.09
IUPAC NameN-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
SMILESCCCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21ClN2O4S/c1-4-8-17(22(3,19)20)9-7-14(18)16-11-5-6-13(21-2)12(15)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,16,18)
InChIKeyWIYNFVVDPJLUQY-UHFFFAOYSA-N
XLogP2.35
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.85
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dichlorophenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113136025
N-(3-chloro-4-methoxyphenyl)butanamide
CID 875969
N-(4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135977
N-(3,4-dichlorophenyl)-3-[3-(dimethylamino)propyl-methylsulfonylamino]propanamide
CID 113138429
N,N'-bis(3-chloro-4-methoxyphenyl)hexanediamide
CID 4945268
N-(3-chloro-4-fluorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137731
N-(3-chloro-4-methoxyphenyl)-3-(dimethylsulfamoyl)propanamide
CID 110343385
N-(3-chloro-4-methoxyphenyl)-2-[(4-chlorophenyl)methyl-methylsulfonylamino]acetamide
CID 126396765
2-[butan-2-yl(methylsulfonyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 113148752
3-[acetyl(tert-butyl)amino]-N-(3-chloro-4-methoxyphenyl)propanamide
CID 113122543
N-(3-chloro-4-methoxyphenyl)-2-(propylsulfonylamino)acetamide
CID 112998367
2-[butyl(methyl)amino]-N-(3-chloro-4-methoxyphenyl)acetamide
CID 31477725

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The IUPAC name of N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide (CID 113135971) is N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide.
What is the SMILES notation for N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The canonical SMILES for N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is CCCN(CCC(=O)Nc1ccc(OC)c(Cl)c1)S(C)(=O)=O.
What is the InChIKey of N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
The InChIKey is WIYNFVVDPJLUQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21ClN2O4S/c1-4-8-17(22(3,19)20)9-7-14(18)16-11-5-6-13(21-2)12(15)10-11/h5-6,10H,4,7-9H2,1-3H3,(H,16,18).
What are the key properties of N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide?
N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide has a molecular weight of 348.85 g/mol, XLogP of 2.35, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-methoxyphenyl)-3-[methylsulfonyl(propyl)amino]propanamide is sourced from PubChem (CID 113135971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).