N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide

C18H21ClN2O4S — CID 108572656

IUPACN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O4S/c1-13-3-6-16(11-14(13)2)25-12-18(22)20-9-10-21-26(23,24)17-7-4-15(19)5-8-17/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyRLBVOBNVFPCGJO-UHFFFAOYSA-N
MW396.90 g/mol
LogP2.43
Rot. Bonds8

About N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide

N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide (PubChem CID 108572656) has the molecular formula C18H21ClN2O4S and a molecular weight of 396.90 g/mol. Its IUPAC name is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide.

Molecular Properties

Compound NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
PubChem CID108572656
Molecular FormulaC18H21ClN2O4S
Molecular Weight396.90 g/mol
Exact Mass396.09
IUPAC NameN-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide
SMILESCc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1C
InChIInChI=1S/C18H21ClN2O4S/c1-13-3-6-16(11-14(13)2)25-12-18(22)20-9-10-21-26(23,24)17-7-4-15(19)5-8-17/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22)
InChIKeyRLBVOBNVFPCGJO-UHFFFAOYSA-N
XLogP2.43
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.90
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(4-chloro-3,5-dimethylphenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572497
2-(4-chlorophenyl)-N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]acetamide
CID 108572637
2-(3,4-dimethylphenoxy)-N-[2-(methanesulfonamido)ethyl]acetamide
CID 36904254
2-(2,4-dichlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]acetamide
CID 108572836
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(2-methoxyphenoxy)acetamide
CID 108574386
N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]-2-(4-methylphenoxy)acetamide
CID 108574488
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-4-(4-methylphenoxy)butanamide
CID 108572895
2-(4-chlorophenoxy)-N-[2-[(3,4-dimethylphenyl)sulfonylamino]ethyl]propanamide
CID 108572703
3-(4-chlorophenyl)-N-[2-[(4-ethoxyphenyl)sulfonylamino]ethyl]propanamide
CID 108574321
methyl N-[2-[[2-(3,4-dimethylphenoxy)acetyl]amino]ethyl]carbamate
CID 108572647
2-(3,4-dimethylphenoxy)-N-[8-[[2-(3,4-dimethylphenoxy)acetyl]amino]octyl]acetamide
CID 17233359
N-[2-(4-chloro-3-methylphenoxy)ethyl]-2-(4-chlorophenoxy)acetamide
CID 113102711

Frequently Asked Questions

What is the IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The IUPAC name of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide (CID 108572656) is N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide.
What is the SMILES notation for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The canonical SMILES for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide is Cc1ccc(OCC(=O)NCCNS(=O)(=O)c2ccc(Cl)cc2)cc1C.
What is the InChIKey of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide?
The InChIKey is RLBVOBNVFPCGJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O4S/c1-13-3-6-16(11-14(13)2)25-12-18(22)20-9-10-21-26(23,24)17-7-4-15(19)5-8-17/h3-8,11,21H,9-10,12H2,1-2H3,(H,20,22).
What are the key properties of N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide?
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide has a molecular weight of 396.90 g/mol, XLogP of 2.43, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-2-(3,4-dimethylphenoxy)acetamide is sourced from PubChem (CID 108572656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).