N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

C11H14N2O5S3 — CID 14700207

IUPACN,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)N(CCO)CCO)sc2s1
InChIInChI=1S/C11H14N2O5S3/c12-21(17,18)9-6-7-5-8(19-11(7)20-9)10(16)13(1-3-14)2-4-15/h5-6,14-15H,1-4H2,(H2,12,17,18)
InChIKeySVHSYJHKHWGMQK-UHFFFAOYSA-N
MW350.44 g/mol
LogP0.04
Rot. Bonds6

About N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide

N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (PubChem CID 14700207) has the molecular formula C11H14N2O5S3 and a molecular weight of 350.44 g/mol. Its IUPAC name is N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.

Molecular Properties

Compound NameN,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
PubChem CID14700207
Molecular FormulaC11H14N2O5S3
Molecular Weight350.44 g/mol
Exact Mass350.01
IUPAC NameN,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide
SMILESNS(=O)(=O)c1cc2cc(C(=O)N(CCO)CCO)sc2s1
InChIInChI=1S/C11H14N2O5S3/c12-21(17,18)9-6-7-5-8(19-11(7)20-9)10(16)13(1-3-14)2-4-15/h5-6,14-15H,1-4H2,(H2,12,17,18)
InChIKeySVHSYJHKHWGMQK-UHFFFAOYSA-N
XLogP0.04
TPSA120.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.44
LogP ≤ 50.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The IUPAC name of N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide (CID 14700207) is N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide.
What is the SMILES notation for N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The canonical SMILES for N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is NS(=O)(=O)c1cc2cc(C(=O)N(CCO)CCO)sc2s1.
What is the InChIKey of N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
The InChIKey is SVHSYJHKHWGMQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O5S3/c12-21(17,18)9-6-7-5-8(19-11(7)20-9)10(16)13(1-3-14)2-4-15/h5-6,14-15H,1-4H2,(H2,12,17,18).
What are the key properties of N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide?
N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide has a molecular weight of 350.44 g/mol, XLogP of 0.04, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-bis(2-hydroxyethyl)-5-sulfamoylthieno[2,3-b]thiophene-2-carboxamide is sourced from PubChem (CID 14700207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).