N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide

C16H26N2O5S — CID 113070811

IUPACN-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-5-6-7-16(19)17-10-11-18(24(4,20)21)14-9-8-13(22-2)12-15(14)23-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19)
InChIKeyNHRBJNCMCOSDLN-UHFFFAOYSA-N
MW358.46 g/mol
LogP1.78
Rot. Bonds10

About N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide

N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide (PubChem CID 113070811) has the molecular formula C16H26N2O5S and a molecular weight of 358.46 g/mol. Its IUPAC name is N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide.

Molecular Properties

Compound NameN-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
PubChem CID113070811
Molecular FormulaC16H26N2O5S
Molecular Weight358.46 g/mol
Exact Mass358.16
IUPAC NameN-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide
SMILESCCCCC(=O)NCCN(c1ccc(OC)cc1OC)S(C)(=O)=O
InChIInChI=1S/C16H26N2O5S/c1-5-6-7-16(19)17-10-11-18(24(4,20)21)14-9-8-13(22-2)12-15(14)23-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19)
InChIKeyNHRBJNCMCOSDLN-UHFFFAOYSA-N
XLogP1.78
TPSA84.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.46
LogP ≤ 51.78
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(3-methoxy-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070417
N-(2,4-dimethoxyphenyl)-N-propylmethanesulfonamide
CID 165347304
N-[2-(4-chloro-2-methyl-N-methylsulfonylanilino)ethyl]pentanamide
CID 113070078
N-butan-2-yl-3-(2,4-dimethoxy-N-methylsulfonylanilino)propanamide
CID 113145132
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-(3-methoxypropyl)acetamide
CID 2890925
3-(2,4-dimethoxy-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 113145127
N-[2-(2,5-dichloro-N-methylsulfonylanilino)ethyl]pentanamide
CID 113071973
N-butyl-3-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 113144672
2-[N-(benzenesulfonyl)-2,4-dimethoxyanilino]-N-butylacetamide
CID 126136501
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N-[3-(2-propoxyphenyl)propyl]acetamide
CID 30220604
N-(2-methoxyethyl)-4-(2-methoxy-N-methylsulfonylanilino)butanamide
CID 53288570
2-(2,4-dimethoxy-N-methylsulfonylanilino)-N,N-diethylacetamide
CID 3138977

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide?
The IUPAC name of N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide (CID 113070811) is N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide.
What is the SMILES notation for N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide?
The canonical SMILES for N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide is CCCCC(=O)NCCN(c1ccc(OC)cc1OC)S(C)(=O)=O.
What is the InChIKey of N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide?
The InChIKey is NHRBJNCMCOSDLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O5S/c1-5-6-7-16(19)17-10-11-18(24(4,20)21)14-9-8-13(22-2)12-15(14)23-3/h8-9,12H,5-7,10-11H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide?
N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide has a molecular weight of 358.46 g/mol, XLogP of 1.78, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dimethoxy-N-methylsulfonylanilino)ethyl]pentanamide is sourced from PubChem (CID 113070811), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).