3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide

C14H20Cl2N2O3S — CID 113136795

IUPAC3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyZXXWPVWPBYAJLG-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.38
Rot. Bonds8

About 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide

3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide (PubChem CID 113136795) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
PubChem CID113136795
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide
SMILESCCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19)
InChIKeyZXXWPVWPBYAJLG-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.30
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,4-dichlorophenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137781
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
3-[butyl(methylsulfonyl)amino]-N-(3-chlorophenyl)propanamide
CID 113136739
3-[butyl(methylsulfonyl)amino]-N-(2,4-difluorophenyl)propanamide
CID 113136791
N-(2,4-dichlorophenyl)-3-[furan-2-ylmethyl(methylsulfonyl)amino]propanamide
CID 113138586
2-(dibutylamino)-N-(2,4-dichlorophenyl)acetamide
CID 18870877
3-[butyl(methylsulfonyl)amino]-N-(2-fluorophenyl)propanamide
CID 113136736
N-(4-bromo-2-methylphenyl)-3-[butyl(methylsulfonyl)amino]propanamide
CID 113136785
2-[butyl(ethyl)amino]-N-(2,4-dichlorophenyl)acetamide
CID 78821204
3-[acetyl(propyl)amino]-N-(2,4-dichlorophenyl)propanamide
CID 113115094
N-(3,5-dichlorophenyl)-3-[methylsulfonyl(pentyl)amino]propanamide
CID 113141365
N-(4-chloro-2-methylphenyl)-3-[2-methoxyethyl(methylsulfonyl)amino]propanamide
CID 113137729

Frequently Asked Questions

What is the IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The IUPAC name of 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide (CID 113136795) is 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The canonical SMILES for 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide is CCCCN(CCC(=O)Nc1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide?
The InChIKey is ZXXWPVWPBYAJLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-3-4-8-18(22(2,20)21)9-7-14(19)17-13-6-5-11(15)10-12(13)16/h5-6,10H,3-4,7-9H2,1-2H3,(H,17,19).
What are the key properties of 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide?
3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide has a molecular weight of 367.30 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butyl(methylsulfonyl)amino]-N-(2,4-dichlorophenyl)propanamide is sourced from PubChem (CID 113136795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).