3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide

C15H18N2O4S2 — CID 108573563

IUPAC3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S2/c18-14(8-11-21-13-5-2-1-3-6-13)16-9-10-17-23(19,20)15-7-4-12-22-15/h1-7,12,17H,8-11H2,(H,16,18)
InChIKeyAQYBRWNEABHKFN-UHFFFAOYSA-N
MW354.45 g/mol
LogP1.61
Rot. Bonds9

About 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide

3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide (PubChem CID 108573563) has the molecular formula C15H18N2O4S2 and a molecular weight of 354.45 g/mol. Its IUPAC name is 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide.

Molecular Properties

Compound Name3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
PubChem CID108573563
Molecular FormulaC15H18N2O4S2
Molecular Weight354.45 g/mol
Exact Mass354.07
IUPAC Name3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide
SMILESO=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S2/c18-14(8-11-21-13-5-2-1-3-6-13)16-9-10-17-23(19,20)15-7-4-12-22-15/h1-7,12,17H,8-11H2,(H,16,18)
InChIKeyAQYBRWNEABHKFN-UHFFFAOYSA-N
XLogP1.61
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.45
LogP ≤ 51.61
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-(3-phenoxypropyl)thiophene-2-sulfonamide
CID 47122008
4-(2-methylphenoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]butanamide
CID 108573067
N-[2-(thiophen-2-ylsulfonylamino)ethyl]pentanamide
CID 108573837
2-(2-methoxyethoxy)-N-[2-(thiophen-2-ylsulfonylamino)ethyl]acetamide
CID 108574842
N-[2-[(3-chlorophenyl)sulfonylamino]ethyl]-3-phenoxypropanamide
CID 32998656
N-(2-acetamidoethyl)-3-phenoxypropanamide
CID 46684252
N-[2-(4-methylphenoxy)ethyl]thiophene-2-sulfonamide
CID 2998241
tert-butyl N-[2-(thiophen-2-ylsulfonylamino)ethyl]carbamate
CID 47454485
N-[3-(4-fluorophenoxy)propyl]thiophene-2-sulfonamide
CID 47474310
2-[2-(thiophen-2-ylsulfonylamino)ethoxy]acetic acid
CID 79457092
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
2-(3-methylphenoxy)ethyl 3-(thiophen-2-ylsulfonylamino)propanoate
CID 55320518

Frequently Asked Questions

What is the IUPAC name of 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide?
The IUPAC name of 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide (CID 108573563) is 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide.
What is the SMILES notation for 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide?
The canonical SMILES for 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide is O=C(CCOc1ccccc1)NCCNS(=O)(=O)c1cccs1.
What is the InChIKey of 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide?
The InChIKey is AQYBRWNEABHKFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S2/c18-14(8-11-21-13-5-2-1-3-6-13)16-9-10-17-23(19,20)15-7-4-12-22-15/h1-7,12,17H,8-11H2,(H,16,18).
What are the key properties of 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide?
3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide has a molecular weight of 354.45 g/mol, XLogP of 1.61, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenoxy-N-[2-(thiophen-2-ylsulfonylamino)ethyl]propanamide is sourced from PubChem (CID 108573563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).