N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

C13H18N2O4S2 — CID 106342103

IUPACN-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sccc1C#CCCO
InChIInChI=1S/C13H18N2O4S2/c1-2-15-21(18,19)10-7-14-13(17)12-11(6-9-20-12)5-3-4-8-16/h6,9,15-16H,2,4,7-8,10H2,1H3,(H,14,17)
InChIKeyODVRVBBETQPNFX-UHFFFAOYSA-N
MW330.43 g/mol
LogP0.15
Rot. Bonds7

About N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide

N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (PubChem CID 106342103) has the molecular formula C13H18N2O4S2 and a molecular weight of 330.43 g/mol. Its IUPAC name is N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
PubChem CID106342103
Molecular FormulaC13H18N2O4S2
Molecular Weight330.43 g/mol
Exact Mass330.07
IUPAC NameN-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide
SMILESCCNS(=O)(=O)CCNC(=O)c1sccc1C#CCCO
InChIInChI=1S/C13H18N2O4S2/c1-2-15-21(18,19)10-7-14-13(17)12-11(6-9-20-12)5-3-4-8-16/h6,9,15-16H,2,4,7-8,10H2,1H3,(H,14,17)
InChIKeyODVRVBBETQPNFX-UHFFFAOYSA-N
XLogP0.15
TPSA95.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 50.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The IUPAC name of N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide (CID 106342103) is N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The canonical SMILES for N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is CCNS(=O)(=O)CCNC(=O)c1sccc1C#CCCO.
What is the InChIKey of N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
The InChIKey is ODVRVBBETQPNFX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O4S2/c1-2-15-21(18,19)10-7-14-13(17)12-11(6-9-20-12)5-3-4-8-16/h6,9,15-16H,2,4,7-8,10H2,1H3,(H,14,17).
What are the key properties of N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide?
N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide has a molecular weight of 330.43 g/mol, XLogP of 0.15, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(ethylsulfamoyl)ethyl]-3-(4-hydroxybut-1-ynyl)thiophene-2-carboxamide is sourced from PubChem (CID 106342103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).