3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

C14H17N5O5S2 — CID 17193013

IUPAC3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H17N5O5S2/c1-2-3-13-17-18-14(25-13)16-12(20)8-9-15-26(23,24)11-6-4-10(5-7-11)19(21)22/h4-7,15H,2-3,8-9H2,1H3,(H,16,18,20)
InChIKeyHUPJFWFGRSGRBX-UHFFFAOYSA-N
MW399.45 g/mol
LogP1.71
Rot. Bonds9

About 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide

3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (PubChem CID 17193013) has the molecular formula C14H17N5O5S2 and a molecular weight of 399.45 g/mol. Its IUPAC name is 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.

Molecular Properties

Compound Name3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
PubChem CID17193013
Molecular FormulaC14H17N5O5S2
Molecular Weight399.45 g/mol
Exact Mass399.07
IUPAC Name3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
SMILESCCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1
InChIInChI=1S/C14H17N5O5S2/c1-2-3-13-17-18-14(25-13)16-12(20)8-9-15-26(23,24)11-6-4-10(5-7-11)19(21)22/h4-7,15H,2-3,8-9H2,1H3,(H,16,18,20)
InChIKeyHUPJFWFGRSGRBX-UHFFFAOYSA-N
XLogP1.71
TPSA144.19 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.45
LogP ≤ 51.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-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

N-[5-(2,2-dimethylpropyl)-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192985
N-[5-[(4-methoxyphenyl)methyl]-1,3,4-thiadiazol-2-yl]-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192977
3-(benzenesulfonamido)-N-(5-pentyl-1,3,4-thiadiazol-2-yl)propanamide
CID 17225962
1-(4-nitrophenyl)-3-(5-propyl-1,3,4-thiadiazol-2-yl)urea
CID 3099816
3-(benzenesulfonamido)-N-[5-(2-phenylethyl)-1,3,4-thiadiazol-2-yl]propanamide
CID 17225954
(E)-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-3-(4-nitrophenyl)prop-2-enamide
CID 17193535
3-[(4-methylphenyl)sulfonylamino]-N-(4-nitrophenyl)propanamide
CID 4181109
2-chloro-N-[5-[2-[(4-methylphenyl)sulfonylamino]ethyl]-1,3,4-thiadiazol-2-yl]-4-nitrobenzamide
CID 17193122
2-(4-nitrophenyl)sulfanyl-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide
CID 55360911
3-bromo-N-[2-[5-[3-[(4-methylphenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193848
3-bromo-N-[2-[5-[3-[(4-bromophenyl)sulfonylamino]propanoylamino]-1,3,4-thiadiazol-2-yl]ethyl]benzamide
CID 17193876
N-tert-butyl-3-[(4-nitrophenyl)sulfonylamino]propanamide
CID 17192795

Frequently Asked Questions

What is the IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The IUPAC name of 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide (CID 17193013) is 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide.
What is the SMILES notation for 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The canonical SMILES for 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is CCCc1nnc(NC(=O)CCNS(=O)(=O)c2ccc([N+](=O)[O-])cc2)s1.
What is the InChIKey of 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
The InChIKey is HUPJFWFGRSGRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17N5O5S2/c1-2-3-13-17-18-14(25-13)16-12(20)8-9-15-26(23,24)11-6-4-10(5-7-11)19(21)22/h4-7,15H,2-3,8-9H2,1H3,(H,16,18,20).
What are the key properties of 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide?
3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide has a molecular weight of 399.45 g/mol, XLogP of 1.71, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-nitrophenyl)sulfonylamino]-N-(5-propyl-1,3,4-thiadiazol-2-yl)propanamide is sourced from PubChem (CID 17193013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).