3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

C11H18N2O4S2 — CID 62714959

IUPAC3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESCCCOCCC(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H18N2O4S2/c1-2-6-17-7-5-10(14)13-8-9-3-4-11(18-9)19(12,15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDCSZYCCOPRREFR-UHFFFAOYSA-N
MW306.41 g/mol
LogP0.83
Rot. Bonds8

About 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (PubChem CID 62714959) has the molecular formula C11H18N2O4S2 and a molecular weight of 306.41 g/mol. Its IUPAC name is 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
PubChem CID62714959
Molecular FormulaC11H18N2O4S2
Molecular Weight306.41 g/mol
Exact Mass306.07
IUPAC Name3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESCCCOCCC(=O)NCc1ccc(S(N)(=O)=O)s1
InChIInChI=1S/C11H18N2O4S2/c1-2-6-17-7-5-10(14)13-8-9-3-4-11(18-9)19(12,15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H2,12,15,16)
InChIKeyDCSZYCCOPRREFR-UHFFFAOYSA-N
XLogP0.83
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.41
LogP ≤ 50.83
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-(5-sulfamoylthiophen-2-yl)ethyl]butanamide
CID 43133898
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
2-(3-ethoxycyclobutyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103164410
5-[(octanoylamino)methyl]thiophene-2-sulfonyl chloride
CID 43173393
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55678586
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
(2S)-2-amino-3-methyl-N-[(5-sulfamoylthiophen-2-yl)methyl]butanamide;hydrochloride
CID 119270466
2-cyclohexyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 43093036
3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55339921
3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 18284067
3-(2-ethoxyethoxy)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 121286188

Frequently Asked Questions

What is the IUPAC name of 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (CID 62714959) is 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is CCCOCCC(=O)NCc1ccc(S(N)(=O)=O)s1.
What is the InChIKey of 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The InChIKey is DCSZYCCOPRREFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O4S2/c1-2-6-17-7-5-10(14)13-8-9-3-4-11(18-9)19(12,15)16/h3-4H,2,5-8H2,1H3,(H,13,14)(H2,12,15,16).
What are the key properties of 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide has a molecular weight of 306.41 g/mol, XLogP of 0.83, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 62714959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).