2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

C14H17N3O3S — CID 110688566

IUPAC2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cccc2)cc1
InChIInChI=1S/C14H17N3O3S/c15-21(19,20)13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18)(H2,15,19,20)
InChIKeyDAOCMYJSYXMIFH-UHFFFAOYSA-N
MW307.38 g/mol
LogP0.49
Rot. Bonds6

About 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide

2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (PubChem CID 110688566) has the molecular formula C14H17N3O3S and a molecular weight of 307.38 g/mol. Its IUPAC name is 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
PubChem CID110688566
Molecular FormulaC14H17N3O3S
Molecular Weight307.38 g/mol
Exact Mass307.10
IUPAC Name2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
SMILESNS(=O)(=O)c1ccc(CCNC(=O)Cn2cccc2)cc1
InChIInChI=1S/C14H17N3O3S/c15-21(19,20)13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18)(H2,15,19,20)
InChIKeyDAOCMYJSYXMIFH-UHFFFAOYSA-N
XLogP0.49
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.38
LogP ≤ 50.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[2-(4-chlorophenyl)ethyl]-2-pyrrol-1-ylacetamide
CID 20880518
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-[2-(4-chlorophenyl)ethyl]-2-[2-(4-sulfamoylphenyl)ethylamino]acetamide
CID 109002532
2-(2-aminoethylsulfanyl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 84557592
2-[(3aR,7aR)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 2078489
2-[(2S,6S)-2,6-dimethylmorpholin-4-yl]-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 30126498
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747
2-(methanesulfonamido)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 112993993
N-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]benzamide
CID 2566678
2-(5,7-dioxopyrrolo[3,4-b]pyridin-6-yl)-N-[2-(4-sulfamoylphenyl)ethyl]acetamide
CID 113201848
ethyl 4-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl]piperazine-1-carboxylate
CID 27154557
3-imidazo[1,5-a]pyridin-3-yl-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 110675048

Frequently Asked Questions

What is the IUPAC name of 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The IUPAC name of 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide (CID 110688566) is 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide.
What is the SMILES notation for 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The canonical SMILES for 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is NS(=O)(=O)c1ccc(CCNC(=O)Cn2cccc2)cc1.
What is the InChIKey of 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
The InChIKey is DAOCMYJSYXMIFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N3O3S/c15-21(19,20)13-5-3-12(4-6-13)7-8-16-14(18)11-17-9-1-2-10-17/h1-6,9-10H,7-8,11H2,(H,16,18)(H2,15,19,20).
What are the key properties of 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide?
2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide has a molecular weight of 307.38 g/mol, XLogP of 0.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pyrrol-1-yl-N-[2-(4-sulfamoylphenyl)ethyl]acetamide is sourced from PubChem (CID 110688566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).