N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide

C12H18N2O4S2 — CID 83202524

IUPACN-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NOC1CCCC1
InChIInChI=1S/C12H18N2O4S2/c15-11(14-18-10-4-1-2-5-10)7-8-13-20(16,17)12-6-3-9-19-12/h3,6,9-10,13H,1-2,4-5,7-8H2,(H,14,15)
InChIKeyATXCOHOCFBWIEM-UHFFFAOYSA-N
MW318.42 g/mol
LogP1.41
Rot. Bonds7

About N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide

N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide (PubChem CID 83202524) has the molecular formula C12H18N2O4S2 and a molecular weight of 318.42 g/mol. Its IUPAC name is N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide.

Molecular Properties

Compound NameN-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
PubChem CID83202524
Molecular FormulaC12H18N2O4S2
Molecular Weight318.42 g/mol
Exact Mass318.07
IUPAC NameN-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide
SMILESO=C(CCNS(=O)(=O)c1cccs1)NOC1CCCC1
InChIInChI=1S/C12H18N2O4S2/c15-11(14-18-10-4-1-2-5-10)7-8-13-20(16,17)12-6-3-9-19-12/h3,6,9-10,13H,1-2,4-5,7-8H2,(H,14,15)
InChIKeyATXCOHOCFBWIEM-UHFFFAOYSA-N
XLogP1.41
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.42
LogP ≤ 51.41
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

3-(thiophen-2-ylsulfonylamino)propanoate
CID 3420084
N-(3-methylcyclopentyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 114550202
N-(1,3-dihydroxypropan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 65315408
[2-[(4-methylcyclohexyl)amino]-2-oxoethyl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 30197174
methyl 6-(thiophen-2-ylsulfonylamino)hexanoate
CID 43404961
N-(2-chloroprop-2-enyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115636829
N-(4-chlorophenyl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 4614958
N-[3-(4-methylpiperazin-1-yl)-3-oxopropyl]thiophene-2-sulfonamide
CID 47097552
N-[2-(cyclopentylsulfamoyl)ethyl]thiophene-2-sulfonamide
CID 110345804
[1-[cyclohexyl(methyl)amino]-1-oxopropan-2-yl] 3-(thiophen-2-ylsulfonylamino)propanoate
CID 24671323
N-(4-hydroxybutan-2-yl)-3-(thiophen-2-ylsulfonylamino)propanamide
CID 115283498
1-cyclopentyl-2-[2-(thiophen-2-ylsulfonylamino)ethyl]guanidine
CID 119954337

Frequently Asked Questions

What is the IUPAC name of N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide?
The IUPAC name of N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide (CID 83202524) is N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide.
What is the SMILES notation for N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide?
The canonical SMILES for N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide is O=C(CCNS(=O)(=O)c1cccs1)NOC1CCCC1.
What is the InChIKey of N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide?
The InChIKey is ATXCOHOCFBWIEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4S2/c15-11(14-18-10-4-1-2-5-10)7-8-13-20(16,17)12-6-3-9-19-12/h3,6,9-10,13H,1-2,4-5,7-8H2,(H,14,15).
What are the key properties of N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide?
N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide has a molecular weight of 318.42 g/mol, XLogP of 1.41, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyloxy-3-(thiophen-2-ylsulfonylamino)propanamide is sourced from PubChem (CID 83202524), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).