N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide

C15H23ClN2O4S — CID 113153482

IUPACN-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-4-5-6-9-18(23(3,20)21)11-15(19)17-13-10-12(16)7-8-14(13)22-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyAOOAIRFYDMRZSU-UHFFFAOYSA-N
MW362.88 g/mol
LogP2.74
Rot. Bonds9

About N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide

N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide (PubChem CID 113153482) has the molecular formula C15H23ClN2O4S and a molecular weight of 362.88 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
PubChem CID113153482
Molecular FormulaC15H23ClN2O4S
Molecular Weight362.88 g/mol
Exact Mass362.11
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
SMILESCCCCCN(CC(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O
InChIInChI=1S/C15H23ClN2O4S/c1-4-5-6-9-18(23(3,20)21)11-15(19)17-13-10-12(16)7-8-14(13)22-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19)
InChIKeyAOOAIRFYDMRZSU-UHFFFAOYSA-N
XLogP2.74
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.88
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-methoxy-5-methylphenyl)-2-[methylsulfonyl(propyl)amino]acetamide
CID 113147585
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-N-methylsulfonylanilino)acetamide
CID 1107868
2-[butyl(methylsulfonyl)amino]-N-(2,4-dimethoxyphenyl)acetamide
CID 113148373
N-(5-chloro-2-methoxyphenyl)-2-(4-chloro-2-methyl-N-methylsulfonylanilino)acetamide
CID 51342871
N-(5-chloro-2-methoxyphenyl)-2-[cyclopropyl(methylsulfonyl)amino]acetamide
CID 113147968
2-[[2-(5-chloro-2-methoxyanilino)-2-oxoethyl]-propylamino]acetic acid
CID 61007235
2-[[2-(5-chloro-2-fluoroanilino)-2-oxoethyl]-methylamino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 9222334
3-[tert-butyl(methylsulfonyl)amino]-N-(5-chloro-2-methoxyphenyl)propanamide
CID 113140891
2-[2-aminoethyl(methyl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 62686650
N-(2-fluorophenyl)-2-[methylsulfonyl(pentyl)amino]acetamide
CID 113153470
2-[acetyl(propan-2-yl)amino]-N-(5-chloro-2-methoxyphenyl)acetamide
CID 113158224
N-(5-chloro-2-methoxyphenyl)-2-[(5-methyl-1,2-oxazol-3-yl)-methylsulfonylamino]acetamide
CID 113157844

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide (CID 113153482) is N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide is CCCCCN(CC(=O)Nc1cc(Cl)ccc1OC)S(C)(=O)=O.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
The InChIKey is AOOAIRFYDMRZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23ClN2O4S/c1-4-5-6-9-18(23(3,20)21)11-15(19)17-13-10-12(16)7-8-14(13)22-2/h7-8,10H,4-6,9,11H2,1-3H3,(H,17,19).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide?
N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide has a molecular weight of 362.88 g/mol, XLogP of 2.74, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-[methylsulfonyl(pentyl)amino]acetamide is sourced from PubChem (CID 113153482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).