3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide

C14H21Cl2N3O3S — CID 113146558

IUPAC3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21Cl2N3O3S/c1-18(2)7-5-17-14(20)4-6-19(23(3,21)22)13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyKIZVGWJSPJAQTJ-UHFFFAOYSA-N
MW382.31 g/mol
LogP1.83
Rot. Bonds8

About 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide

3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide (PubChem CID 113146558) has the molecular formula C14H21Cl2N3O3S and a molecular weight of 382.31 g/mol. Its IUPAC name is 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
PubChem CID113146558
Molecular FormulaC14H21Cl2N3O3S
Molecular Weight382.31 g/mol
Exact Mass381.07
IUPAC Name3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
SMILESCN(C)CCNC(=O)CCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O
InChIInChI=1S/C14H21Cl2N3O3S/c1-18(2)7-5-17-14(20)4-6-19(23(3,21)22)13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20)
InChIKeyKIZVGWJSPJAQTJ-UHFFFAOYSA-N
XLogP1.83
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.31
LogP ≤ 51.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(4-chloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113143874
N-[2-(dimethylamino)ethyl]-3-(3,5-dimethyl-N-methylsulfonylanilino)propanamide
CID 113142352
3-(3,5-dichloro-N-methylsulfonylanilino)propanoic acid
CID 50892451
3-(2,6-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide
CID 113146588
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2-methylpropanamide
CID 113071997
3-[2,3-dihydro-1,4-benzodioxin-6-yl(methylsulfonyl)amino]-N-[2-(dimethylamino)ethyl]propanamide
CID 113146189
N-[2-(3,5-dichloro-N-methylsulfonylanilino)ethyl]-2,2-dimethylpropanamide
CID 113072003
3-(3-chloro-N-methylsulfonylanilino)-N-[2-(4-fluorophenyl)ethyl]propanamide
CID 113143798
N-[3-(dimethylamino)propyl]-3-(2,4,6-trimethyl-N-methylsulfonylanilino)propanamide
CID 113143138
N-(3,5-dichlorophenyl)-N-(2-oxopropyl)methanesulfonamide
CID 20524752
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
N-[2-(dimethylamino)ethyl]-3-[methylsulfonyl(propan-2-yl)amino]propanamide
CID 113136060

Frequently Asked Questions

What is the IUPAC name of 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The IUPAC name of 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide (CID 113146558) is 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide.
What is the SMILES notation for 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The canonical SMILES for 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide is CN(C)CCNC(=O)CCN(c1cc(Cl)cc(Cl)c1)S(C)(=O)=O.
What is the InChIKey of 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
The InChIKey is KIZVGWJSPJAQTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21Cl2N3O3S/c1-18(2)7-5-17-14(20)4-6-19(23(3,21)22)13-9-11(15)8-12(16)10-13/h8-10H,4-7H2,1-3H3,(H,17,20).
What are the key properties of 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide?
3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide has a molecular weight of 382.31 g/mol, XLogP of 1.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3,5-dichloro-N-methylsulfonylanilino)-N-[2-(dimethylamino)ethyl]propanamide is sourced from PubChem (CID 113146558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).