3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

C16H17N3O3S2 — CID 18284067

IUPAC3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccccc32)s1
InChIInChI=1S/C16H17N3O3S2/c17-24(21,22)16-6-5-13(23-16)11-18-15(20)8-10-19-9-7-12-3-1-2-4-14(12)19/h1-7,9H,8,10-11H2,(H,18,20)(H2,17,21,22)
InChIKeyDMLWPAIOLKODPW-UHFFFAOYSA-N
MW363.46 g/mol
LogP2.06
Rot. Bonds6

About 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (PubChem CID 18284067) has the molecular formula C16H17N3O3S2 and a molecular weight of 363.46 g/mol. Its IUPAC name is 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
PubChem CID18284067
Molecular FormulaC16H17N3O3S2
Molecular Weight363.46 g/mol
Exact Mass363.07
IUPAC Name3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccccc32)s1
InChIInChI=1S/C16H17N3O3S2/c17-24(21,22)16-6-5-13(23-16)11-18-15(20)8-10-19-9-7-12-3-1-2-4-14(12)19/h1-7,9H,8,10-11H2,(H,18,20)(H2,17,21,22)
InChIKeyDMLWPAIOLKODPW-UHFFFAOYSA-N
XLogP2.06
TPSA94.19 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.46
LogP ≤ 52.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
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Frequently Asked Questions

What is the IUPAC name of 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (CID 18284067) is 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CCn2ccc3ccccc32)s1.
What is the InChIKey of 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The InChIKey is DMLWPAIOLKODPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H17N3O3S2/c17-24(21,22)16-6-5-13(23-16)11-18-15(20)8-10-19-9-7-12-3-1-2-4-14(12)19/h1-7,9H,8,10-11H2,(H,18,20)(H2,17,21,22).
What are the key properties of 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide has a molecular weight of 363.46 g/mol, XLogP of 2.06, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 18284067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).