3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

C20H19N3O3S3 — CID 55339921

IUPAC3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)s1
InChIInChI=1S/C20H19N3O3S3/c21-29(25,26)20-10-9-14(27-20)13-22-19(24)11-12-23-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)23/h1-10H,11-13H2,(H,22,24)(H2,21,25,26)
InChIKeyNGBOLDUVQMDRGZ-UHFFFAOYSA-N
MW445.59 g/mol
LogP3.70
Rot. Bonds6

About 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide

3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (PubChem CID 55339921) has the molecular formula C20H19N3O3S3 and a molecular weight of 445.59 g/mol. Its IUPAC name is 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
PubChem CID55339921
Molecular FormulaC20H19N3O3S3
Molecular Weight445.59 g/mol
Exact Mass445.06
IUPAC Name3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
SMILESNS(=O)(=O)c1ccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)s1
InChIInChI=1S/C20H19N3O3S3/c21-29(25,26)20-10-9-14(27-20)13-22-19(24)11-12-23-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)23/h1-10H,11-13H2,(H,22,24)(H2,21,25,26)
InChIKeyNGBOLDUVQMDRGZ-UHFFFAOYSA-N
XLogP3.70
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.59
LogP ≤ 53.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het_thio_666_A(13)', 'substructure': 'N/A'}

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Related Compounds

3-indol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 18284067
2-methylsulfanyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 47099009
3-propoxy-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 62714959
N-[(5-sulfamoylthiophen-2-yl)methyl]-3-(1,3,5-trimethylpyrazol-4-yl)propanamide
CID 24597830
N-[2-(ethylamino)ethyl]-3-phenothiazin-10-ylpropanamide;hydrochloride
CID 119505196
3-phenothiazin-10-yl-N'-phenylpropanehydrazide
CID 78775040
2,6-dichloro-N-[(5-sulfamoylthiophen-2-yl)methyl]benzamide
CID 43242454
2-cyclobutyl-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 103706432
N-[(2R)-2-(ethylamino)propyl]-3-phenothiazin-10-ylpropanamide
CID 120655173
3-(3-tert-butyl-1,2,4-oxadiazol-5-yl)-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide
CID 55678586
2-(2-chloro-6-fluorophenyl)-N-[(5-sulfamoylthiophen-2-yl)methyl]acetamide
CID 18229081
3-pyrrol-1-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]thiophene-2-carboxamide
CID 24658577

Frequently Asked Questions

What is the IUPAC name of 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The IUPAC name of 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide (CID 55339921) is 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide.
What is the SMILES notation for 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The canonical SMILES for 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is NS(=O)(=O)c1ccc(CNC(=O)CCN2c3ccccc3Sc3ccccc32)s1.
What is the InChIKey of 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
The InChIKey is NGBOLDUVQMDRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N3O3S3/c21-29(25,26)20-10-9-14(27-20)13-22-19(24)11-12-23-15-5-1-3-7-17(15)28-18-8-4-2-6-16(18)23/h1-10H,11-13H2,(H,22,24)(H2,21,25,26).
What are the key properties of 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide?
3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide has a molecular weight of 445.59 g/mol, XLogP of 3.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenothiazin-10-yl-N-[(5-sulfamoylthiophen-2-yl)methyl]propanamide is sourced from PubChem (CID 55339921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).