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

C14H20Cl2N2O3S — CID 113137172

IUPAC3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-4-10(2)18(22(3,20)21)8-7-14(19)17-13-9-11(15)5-6-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyUQMYYPXYWCBEBW-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.38
Rot. Bonds7

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

3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide (PubChem CID 113137172) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide.

Molecular Properties

Compound Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
PubChem CID113137172
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide
SMILESCCC(C)N(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-4-10(2)18(22(3,20)21)8-7-14(19)17-13-9-11(15)5-6-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19)
InChIKeyUQMYYPXYWCBEBW-UHFFFAOYSA-N
XLogP3.38
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 ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2,5-dichlorophenyl)-3-[2-methylpropyl(methylsulfonyl)amino]propanamide
CID 113136983
N-(2,5-dichlorophenyl)-3-(dipropylamino)propanamide
CID 52579958
3-[2-aminoethyl(methyl)amino]-N-(2,5-dichlorophenyl)propanamide
CID 55103947
N-(3-chloro-4-fluorophenyl)-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136167
3-[butan-2-yl(methylsulfonyl)amino]-N-(2-tert-butylphenyl)propanamide
CID 113137107
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,6-diethylphenyl)propanamide
CID 113137105
N-(2,5-dichlorophenyl)-3-(2-methylpropylamino)propanamide
CID 109012904
2-[[3-(2,5-dichloroanilino)-3-oxopropyl]-ethylamino]acetic acid
CID 61012162
3-[butan-2-yl(methylsulfonyl)amino]-N-[2-(3-chlorophenyl)ethyl]propanamide
CID 113137081
N-(2,5-dichlorophenyl)hexanamide
CID 5055577
N-(5-chloro-2-methylphenyl)-3-[methylsulfonyl(propyl)amino]propanamide
CID 113135966
N-(2,5-dichlorophenyl)-3-(N-methylanilino)propanamide
CID 51654070

Frequently Asked Questions

What is the IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The IUPAC name of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide (CID 113137172) is 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide.
What is the SMILES notation for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The canonical SMILES for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide is CCC(C)N(CCC(=O)Nc1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide?
The InChIKey is UQMYYPXYWCBEBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-4-10(2)18(22(3,20)21)8-7-14(19)17-13-9-11(15)5-6-12(13)16/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,19).
What are the key properties of 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide?
3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide has a molecular weight of 367.30 g/mol, XLogP of 3.38, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[butan-2-yl(methylsulfonyl)amino]-N-(2,5-dichlorophenyl)propanamide is sourced from PubChem (CID 113137172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).