N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide

C14H15N3O5S2 — CID 2056033

IUPACN-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H15N3O5S2/c1-2-3-4-12(18)16-14-15-9-13(23-14)24(21,22)11-7-5-10(6-8-11)17(19)20/h5-9H,2-4H2,1H3,(H,15,16,18)
InChIKeyBTOIHMAYNZGNOT-UHFFFAOYSA-N
MW369.42 g/mol
LogP3.01
Rot. Bonds7

About N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide

N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide (PubChem CID 2056033) has the molecular formula C14H15N3O5S2 and a molecular weight of 369.42 g/mol. Its IUPAC name is N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide.

Molecular Properties

Compound NameN-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
PubChem CID2056033
Molecular FormulaC14H15N3O5S2
Molecular Weight369.42 g/mol
Exact Mass369.05
IUPAC NameN-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide
SMILESCCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H15N3O5S2/c1-2-3-4-12(18)16-14-15-9-13(23-14)24(21,22)11-7-5-10(6-8-11)17(19)20/h5-9H,2-4H2,1H3,(H,15,16,18)
InChIKeyBTOIHMAYNZGNOT-UHFFFAOYSA-N
XLogP3.01
TPSA119.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.42
LogP ≤ 53.01
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 N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide 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

p-Nitrophenyl-2-aminothiazol-5-ylsulphone
CID 1535
N-(5-((4-(Hydroxy(oxido)amino)phenyl)thio)-1,3-thiazol-2-yl)acetamide
CID 251939
2-Chloro-N-[5-[(4-nitrophenyl)sulfonyl]-2-thiazolyl]acetamide
CID 2172058
3-Benzenesulfonyl-N-(5-nitro-thiazol-2-yl)-propionamide
CID 6493257
2-methyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}pentanamide
CID 2905407
5-[[4-(Hydroxyamino)phenyl]sulfonyl]-1,3-thiazol-2-amine
CID 44564474
2-Acetamido-5-(4-nitrophenylsulfonyl)-thiazole
CID 251940
2,2-dimethyl-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}butanamide
CID 1978861
1-[5-(4-Nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pyrrolidin-2-one
CID 2463388
3-acetamido-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]propanamide
CID 24687279
2-[(4-hydroxy-6-propylpyrimidin-2-yl)sulfanyl]-N-{5-[(4-nitrophenyl)sulfonyl]-1,3-thiazol-2-yl}acetamide
CID 135470546
2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]-N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]acetamide
CID 1955363

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The IUPAC name of N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide (CID 2056033) is N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide.
What is the SMILES notation for N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The canonical SMILES for N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide is CCCCC(=O)Nc1ncc(S(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
The InChIKey is BTOIHMAYNZGNOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15N3O5S2/c1-2-3-4-12(18)16-14-15-9-13(23-14)24(21,22)11-7-5-10(6-8-11)17(19)20/h5-9H,2-4H2,1H3,(H,15,16,18).
What are the key properties of N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide?
N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide has a molecular weight of 369.42 g/mol, XLogP of 3.01, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-nitrophenyl)sulfonyl-1,3-thiazol-2-yl]pentanamide is sourced from PubChem (CID 2056033), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).