N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

C14H20Cl2N2O3S — CID 113136983

IUPACN-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)9-18(22(3,20)21)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyZYNMYBGOJBYVIA-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.24
Rot. Bonds7

About N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide

N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (PubChem CID 113136983) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.

Molecular Properties

Compound NameN-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
PubChem CID113136983
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
SMILESCC(C)CN(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-10(2)9-18(22(3,20)21)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19)
InChIKeyZYNMYBGOJBYVIA-UHFFFAOYSA-N
XLogP3.24
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 113137172
N-(2-fluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136920
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113136795
N-(2,6-difluorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136996
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
N-(2,5-dichlorophenyl)-3-hydroxypropanamide
CID 43558723
N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
CID 109012904
N-[4-(dimethylamino)phenyl]-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136957
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162

Frequently Asked Questions

What is the IUPAC name of N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The IUPAC name of N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide (CID 113136983) is N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide.
What is the SMILES notation for N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The canonical SMILES for N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is CC(C)CN(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
The InChIKey is ZYNMYBGOJBYVIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-10(2)9-18(22(3,20)21)7-6-14(19)17-13-8-11(15)4-5-12(13)16/h4-5,8,10H,6-7,9H2,1-3H3,(H,17,19).
What are the key properties of N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide?
N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide has a molecular weight of 367.30 g/mol, XLogP of 3.24, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide is sourced from PubChem (CID 113136983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).