3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide

C18H15N3O5S2 — CID 41235089

IUPAC3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H15N3O5S2/c22-17(10-11-28(25,26)15-4-2-1-3-5-15)20-18-19-16(12-27-18)13-6-8-14(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,20,22)
InChIKeyKZZPIZUEUPCYBK-UHFFFAOYSA-N
MW417.47 g/mol
LogP3.52
Rot. Bonds7

About 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide

3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide (PubChem CID 41235089) has the molecular formula C18H15N3O5S2 and a molecular weight of 417.47 g/mol. Its IUPAC name is 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide.

Molecular Properties

Compound Name3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
PubChem CID41235089
Molecular FormulaC18H15N3O5S2
Molecular Weight417.47 g/mol
Exact Mass417.05
IUPAC Name3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
SMILESO=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1
InChIInChI=1S/C18H15N3O5S2/c22-17(10-11-28(25,26)15-4-2-1-3-5-15)20-18-19-16(12-27-18)13-6-8-14(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,20,22)
InChIKeyKZZPIZUEUPCYBK-UHFFFAOYSA-N
XLogP3.52
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.47
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(benzenesulfonyl)-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 41235081
3-(benzenesulfonyl)-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 18560857
3-(benzenesulfonyl)-N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]propanamide
CID 7202561
3-(benzenesulfonyl)-N-(4-thiophen-2-yl-1,3-thiazol-2-yl)propanamide
CID 7189641
3-(4-chlorophenyl)sulfonyl-N-[4-(4-iodophenyl)-1,3-thiazol-2-yl]propanamide
CID 44994731
3-(benzenesulfonyl)-N-[4-(1,3-benzodioxol-5-yl)-1,3-thiazol-2-yl]propanamide
CID 18560861
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 118986380
3-(4-chlorophenyl)sulfonyl-N-[4-(3,4-difluorophenyl)-1,3-thiazol-2-yl]propanamide
CID 16910434
N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]-4-(2-oxo-2-phenylacetyl)benzamide
CID 19176230
3-(3-chlorophenyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 1407388
4-(benzenesulfonyl)-N-[4-(4-propoxyphenyl)-1,3-thiazol-2-yl]butanamide
CID 41273043
2-naphthalen-1-yloxy-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]acetamide
CID 1186312

Frequently Asked Questions

What is the IUPAC name of 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The IUPAC name of 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide (CID 41235089) is 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide.
What is the SMILES notation for 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The canonical SMILES for 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide is O=C(CCS(=O)(=O)c1ccccc1)Nc1nc(-c2ccc([N+](=O)[O-])cc2)cs1.
What is the InChIKey of 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
The InChIKey is KZZPIZUEUPCYBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15N3O5S2/c22-17(10-11-28(25,26)15-4-2-1-3-5-15)20-18-19-16(12-27-18)13-6-8-14(9-7-13)21(23)24/h1-9,12H,10-11H2,(H,19,20,22).
What are the key properties of 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide?
3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide has a molecular weight of 417.47 g/mol, XLogP of 3.52, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(benzenesulfonyl)-N-[4-(4-nitrophenyl)-1,3-thiazol-2-yl]propanamide is sourced from PubChem (CID 41235089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).