N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

C13H14N2O3S2 — CID 47009666

IUPACN-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O3S2/c1-9(15-13(16)11-5-6-19-8-11)10-3-2-4-12(7-10)20(14,17)18/h2-9H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCBGKUNXESLPABA-UHFFFAOYSA-N
MW310.40 g/mol
LogP1.89
Rot. Bonds4

About N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide

N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (PubChem CID 47009666) has the molecular formula C13H14N2O3S2 and a molecular weight of 310.40 g/mol. Its IUPAC name is N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.

Molecular Properties

Compound NameN-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
PubChem CID47009666
Molecular FormulaC13H14N2O3S2
Molecular Weight310.40 g/mol
Exact Mass310.04
IUPAC NameN-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide
SMILESCC(NC(=O)c1ccsc1)c1cccc(S(N)(=O)=O)c1
InChIInChI=1S/C13H14N2O3S2/c1-9(15-13(16)11-5-6-19-8-11)10-3-2-4-12(7-10)20(14,17)18/h2-9H,1H3,(H,15,16)(H2,14,17,18)
InChIKeyCBGKUNXESLPABA-UHFFFAOYSA-N
XLogP1.89
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.40
LogP ≤ 51.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-sulfamoylphenyl)ethyl]pyridine-4-carboxamide
CID 51213435
3,5-dichloro-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213469
N-(3-sulfamoylphenyl)thiophene-3-carboxamide
CID 60656415
3-(difluoromethoxy)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 51213455
N-[1-(3-sulfamoylphenyl)ethyl]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxamide
CID 51213549
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]-1,3-thiazole-4-carboxamide
CID 122159478
3-[1-(propan-2-ylamino)ethyl]benzenesulfonamide
CID 43232021
3-methyl-N-[1-(3-sulfamoylphenyl)ethyl]pentanamide
CID 114876353
2,5-dimethyl-N-[1-(3-sulfamoylphenyl)ethyl]furan-3-carboxamide
CID 78814202
3-(2-methoxyethylsulfamoyl)-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55570733
3-[1-[[(1R)-1-phenylethyl]amino]ethyl]benzenesulfonamide
CID 81351259
4-[(2,5-dioxopyrrolidin-1-yl)methyl]-N-[1-(3-sulfamoylphenyl)ethyl]benzamide
CID 55395964

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The IUPAC name of N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide (CID 47009666) is N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The canonical SMILES for N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is CC(NC(=O)c1ccsc1)c1cccc(S(N)(=O)=O)c1.
What is the InChIKey of N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
The InChIKey is CBGKUNXESLPABA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3S2/c1-9(15-13(16)11-5-6-19-8-11)10-3-2-4-12(7-10)20(14,17)18/h2-9H,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide?
N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide has a molecular weight of 310.40 g/mol, XLogP of 1.89, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-sulfamoylphenyl)ethyl]thiophene-3-carboxamide is sourced from PubChem (CID 47009666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).