N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide

C14H20Cl2N2O3S — CID 113071973

IUPACN-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-4-5-14(19)17-8-9-18(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)
InChIKeyRHSMOIBNQPYTPR-UHFFFAOYSA-N
MW367.30 g/mol
LogP3.07
Rot. Bonds8

About N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide

N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide (PubChem CID 113071973) has the molecular formula C14H20Cl2N2O3S and a molecular weight of 367.30 g/mol. Its IUPAC name is N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
PubChem CID113071973
Molecular FormulaC14H20Cl2N2O3S
Molecular Weight367.30 g/mol
Exact Mass366.06
IUPAC NameN-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C14H20Cl2N2O3S/c1-3-4-5-14(19)17-8-9-18(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)
InChIKeyRHSMOIBNQPYTPR-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

4-(2,5-dichloro-N-methylsulfonylanilino)-N-propylbutanamide
CID 21367329
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)butanamide
CID 21366810
2-(2,5-dichloro-N-methylsulfonylanilino)-N-ethylacetamide
CID 126033136
N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070811
4-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-ethylphenyl)butanamide
CID 21366899
2-(2,5-dichloro-N-methylsulfonylanilino)-N-prop-2-enylacetamide
CID 113156897
4-(3-chloro-N-methylsulfonylanilino)-N-pentylbutanamide
CID 9173654
N-[3-(4-chlorophenyl)propyl]-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 30242581
N-butyl-2-[(2-chlorophenyl)methyl-[4-(2,5-dichloro-N-methylsulfonylanilino)butanoyl]amino]butanamide
CID 132748556
N-(1,3-benzodioxol-5-ylmethyl)-4-(2,5-dichloro-N-methylsulfonylanilino)butanamide
CID 21367254
N-(2,5-dichlorophenyl)-N-[2-(dimethylsulfamoylamino)ethyl]methanesulfonamide
CID 113071993

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide (CID 113071973) is N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide is CCCCC(=O)NCCN(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide?
The InChIKey is RHSMOIBNQPYTPR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20Cl2N2O3S/c1-3-4-5-14(19)17-8-9-18(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 N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide?
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide 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 N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide is sourced from PubChem (CID 113071973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).