4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide

C14H20Cl2N2O3S — CID 21367329

IUPAC4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
SMILESCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-8-17-14(19)5-4-9-18(22(2,20)21)13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyJYRPVRVSKWHTJG-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.07
Rot. Bonds8

About 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide

4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide (PubChem CID 21367329) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide.

Molecular Properties

Compound Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
PubChem CID21367329
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC Name4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
SMILESCCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-8-17-14(19)5-4-9-18(22(2,20)21)13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19)
InChIKeyJYRPVRVSKWHTJG-UHFFFAOYSA-N
XLogP3.07
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 ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-N-methylsulfonylanilino)butanamide
CID 21367254
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[2-(trifluoromethyl)phenyl]butanamide
CID 21367523
4-(2,5-dichloro-N-methylsulfonylanilino)-N-[1-(4-methylphenyl)ethyl]butanamide
CID 43905455
ethyl 4-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoylamino]benzoate
CID 21368330
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
N-butyl-2-[(2-chlorophenyl)methyl-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 132748556
(2S)-2-[4-(5-chloro-2-methyl-N-methylsulfonylanilino)butanoyl-[(3,4-dichlorophenyl)methyl]amino]-N-propylbutanamide
CID 100593986
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136

Frequently Asked Questions

What is the IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide?
The IUPAC name of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide (CID 21367329) is 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide.
What is the SMILES notation for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide?
The canonical SMILES for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide is CCCNC(=O)CCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide?
The InChIKey is JYRPVRVSKWHTJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-3-8-17-14(19)5-4-9-18(22(2,20)21)13-10-11(15)6-7-12(13)16/h6-7,10H,3-5,8-9H2,1-2H3,(H,17,19).
What are the key properties of 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide?
4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide has a molecular weight of 367.30 g/mol, XLogP of 3.07, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide is sourced from PubChem (CID 21367329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).