N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide

C13H15N3O3S2 — CID 44995257

IUPACN-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1cccs1
InChIInChI=1S/C13H15N3O3S2/c17-13(12-4-2-7-20-12)15-6-8-21(18,19)16-10-11-3-1-5-14-9-11/h1-5,7,9,16H,6,8,10H2,(H,15,17)
InChIKeyBRZXSWKXZDUVOM-UHFFFAOYSA-N
MW325.42 g/mol
LogP0.99
Rot. Bonds7

About N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide

N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide (PubChem CID 44995257) has the molecular formula C13H15N3O3S2 and a molecular weight of 325.42 g/mol. Its IUPAC name is N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
PubChem CID44995257
Molecular FormulaC13H15N3O3S2
Molecular Weight325.42 g/mol
Exact Mass325.06
IUPAC NameN-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide
SMILESO=C(NCCS(=O)(=O)NCc1cccnc1)c1cccs1
InChIInChI=1S/C13H15N3O3S2/c17-13(12-4-2-7-20-12)15-6-8-21(18,19)16-10-11-3-1-5-14-9-11/h1-5,7,9,16H,6,8,10H2,(H,15,17)
InChIKeyBRZXSWKXZDUVOM-UHFFFAOYSA-N
XLogP0.99
TPSA88.16 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 50.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]furan-2-carboxamide
CID 44995255
4-fluoro-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 7618448
3-phenyl-N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]benzamide
CID 110345177
N-[(2S)-1-oxo-1-(pyridin-3-ylmethylamino)propan-2-yl]thiophene-2-carboxamide
CID 35973505
N-[3-oxo-3-[4-(pyridin-3-ylmethyl)piperazin-1-yl]propyl]thiophene-2-carboxamide
CID 55483676
2-(propan-2-ylamino)-N-(pyridin-3-ylmethyl)ethanesulfonamide
CID 54973657
N-(pyridin-3-ylmethyl)-4-(thiophene-2-carbonyl)piperazine-1-carboxamide
CID 84528908
N-(pyridin-3-ylmethyl)-2-(thiophene-2-carbonylamino)-1,3-oxazole-4-carboxamide
CID 52907968
N-[5-(pyridin-3-ylmethylamino)-2-pyridinyl]thiophene-2-carboxamide
CID 113027751
N-[2-chloro-5-(pyridin-3-ylmethylcarbamoyl)phenyl]thiophene-2-carboxamide
CID 26591240
N-[3-[(thiophene-2-carbonylamino)methyl]phenyl]pyridine-3-carboxamide
CID 108926382
N-[(2R)-3-methyl-1-oxo-1-(2-pyridin-3-ylethylamino)butan-2-yl]thiophene-2-carboxamide
CID 30889612

Frequently Asked Questions

What is the IUPAC name of N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide?
The IUPAC name of N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide (CID 44995257) is N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide?
The canonical SMILES for N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide is O=C(NCCS(=O)(=O)NCc1cccnc1)c1cccs1.
What is the InChIKey of N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide?
The InChIKey is BRZXSWKXZDUVOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3S2/c17-13(12-4-2-7-20-12)15-6-8-21(18,19)16-10-11-3-1-5-14-9-11/h1-5,7,9,16H,6,8,10H2,(H,15,17).
What are the key properties of N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide?
N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide has a molecular weight of 325.42 g/mol, XLogP of 0.99, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(pyridin-3-ylmethylsulfamoyl)ethyl]thiophene-2-carboxamide is sourced from PubChem (CID 44995257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).