4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide

C17H22N2O4S2 — CID 108573067

IUPAC4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
SMILESCc1ccccc1OCCCC(=O)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-14-6-2-3-7-15(14)23-12-4-8-16(20)18-10-11-19-25(21,22)17-9-5-13-24-17/h2-3,5-7,9,13,19H,4,8,10-12H2,1H3,(H,18,20)
InChIKeyBDBKXGZSSQAVDP-UHFFFAOYSA-N
MW382.51 g/mol
LogP2.31
Rot. Bonds10

About 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide

4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide (PubChem CID 108573067) has the molecular formula C17H22N2O4S2 and a molecular weight of 382.51 g/mol. Its IUPAC name is 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide.

Molecular Properties

Compound Name4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
PubChem CID108573067
Molecular FormulaC17H22N2O4S2
Molecular Weight382.51 g/mol
Exact Mass382.10
IUPAC Name4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
SMILESCc1ccccc1OCCCC(=O)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C17H22N2O4S2/c1-14-6-2-3-7-15(14)23-12-4-8-16(20)18-10-11-19-25(21,22)17-9-5-13-24-17/h2-3,5-7,9,13,19H,4,8,10-12H2,1H3,(H,18,20)
InChIKeyBDBKXGZSSQAVDP-UHFFFAOYSA-N
XLogP2.31
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.51
LogP ≤ 52.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
CID 108573563
N-[2-[(2,4-dimethylphenyl)sulfonylamino]ethyl]-4-(2-methylphenoxy)butanamide
CID 108573042
N-(3-methoxypropyl)-4-(2-methylphenoxy)butanamide
CID 127115832
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-[[4-(2-methoxyethylsulfamoyl)phenyl]methyl]-4-(2-methylphenoxy)butanamide
CID 108759083
N-[2-[(2-methoxy-4,5-dimethylphenyl)sulfonylamino]ethyl]-4-phenoxybutanamide
CID 108573003
4-(2-methylphenoxy)-N-[2-(4-methylphenoxy)ethyl]butanamide
CID 19174762
4-bromo-N-[2-[4-(2-methylphenoxy)butanoylamino]ethyl]benzamide
CID 108539361
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
4-(methylamino)-N-[3-(2-methylphenoxy)propyl]butanamide;hydrochloride
CID 119772252
(2S)-2-hydroxy-4-[4-(2-methylphenoxy)butanoylamino]butanoic acid
CID 107834348

Frequently Asked Questions

What is the IUPAC name of 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide?
The IUPAC name of 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide (CID 108573067) is 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide.
What is the SMILES notation for 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide?
The canonical SMILES for 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide is Cc1ccccc1OCCCC(=O)NCCNS(=O)(=O)c1cccs1.
What is the InChIKey of 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide?
The InChIKey is BDBKXGZSSQAVDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O4S2/c1-14-6-2-3-7-15(14)23-12-4-8-16(20)18-10-11-19-25(21,22)17-9-5-13-24-17/h2-3,5-7,9,13,19H,4,8,10-12H2,1H3,(H,18,20).
What are the key properties of 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide?
4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide has a molecular weight of 382.51 g/mol, XLogP of 2.31, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide is sourced from PubChem (CID 108573067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).