3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

C15H22Cl2N2O3S — CID 113146504

IUPAC3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-11(2)6-8-18-15(20)7-9-19(23(3,21)22)14-5-4-12(16)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyOPOHRNLYYUNIQD-UHFFFAOYSA-N
MW381.33 g/mol
LogP3.31
Rot. Bonds8

About 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide

3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (PubChem CID 113146504) has the molecular formula C15H22Cl2N2O3S and a molecular weight of 381.33 g/mol. Its IUPAC name is 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.

Molecular Properties

Compound Name3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
PubChem CID113146504
Molecular FormulaC15H22Cl2N2O3S
Molecular Weight381.33 g/mol
Exact Mass380.07
IUPAC Name3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
SMILESCC(C)CCNC(=O)CCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O
InChIInChI=1S/C15H22Cl2N2O3S/c1-11(2)6-8-18-15(20)7-9-19(23(3,21)22)14-5-4-12(16)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,20)
InChIKeyOPOHRNLYYUNIQD-UHFFFAOYSA-N
XLogP3.31
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.33
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142057
2-[N-(benzenesulfonyl)-2,4-dichloroanilino]-N-(3-methylbutyl)acetamide
CID 126270307
3-(2-methoxy-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113144502
3-(3,4-dimethyl-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113142277
methyl 2-[[3-(3-methylbutylamino)-3-oxopropyl]-methylsulfonylamino]benzoate
CID 113145571
N-(3-methylbutyl)-3-[N-methylsulfonyl-2,6-di(propan-2-yl)anilino]propanamide
CID 113146233
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
N-[2-(2,4-dichloro-N-methylsulfonylanilino)ethyl]methanesulfonamide
CID 113071964
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
N-(3-methylbutyl)-3-[N-methylsulfonyl-4-(trifluoromethyl)anilino]propanamide
CID 113145290
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
3-(3-acetamido-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide
CID 113145483

Frequently Asked Questions

What is the IUPAC name of 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The IUPAC name of 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide (CID 113146504) is 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide.
What is the SMILES notation for 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The canonical SMILES for 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is CC(C)CCNC(=O)CCN(c1ccc(Cl)cc1Cl)S(C)(=O)=O.
What is the InChIKey of 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
The InChIKey is OPOHRNLYYUNIQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H22Cl2N2O3S/c1-11(2)6-8-18-15(20)7-9-19(23(3,21)22)14-5-4-12(16)10-13(14)17/h4-5,10-11H,6-9H2,1-3H3,(H,18,20).
What are the key properties of 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide?
3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide has a molecular weight of 381.33 g/mol, XLogP of 3.31, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,4-dichloro-N-methylsulfonylanilino)-N-(3-methylbutyl)propanamide is sourced from PubChem (CID 113146504), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).