N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide

C20H22N4O4S3 — CID 25494413

IUPACN,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C20H22N4O4S3/c1-3-24(4-2)31(27,28)16-8-5-7-14(11-16)19(26)23-22-18(25)12-15-13-30-20(21-15)17-9-6-10-29-17/h5-11,13H,3-4,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIEMZAKPMDCBDQM-UHFFFAOYSA-N
MW478.62 g/mol
LogP2.91
Rot. Bonds8

About N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide

N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide (PubChem CID 25494413) has the molecular formula C20H22N4O4S3 and a molecular weight of 478.62 g/mol. Its IUPAC name is N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide.

Molecular Properties

Compound NameN,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
PubChem CID25494413
Molecular FormulaC20H22N4O4S3
Molecular Weight478.62 g/mol
Exact Mass478.08
IUPAC NameN,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide
SMILESCCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2csc(-c3cccs3)n2)c1
InChIInChI=1S/C20H22N4O4S3/c1-3-24(4-2)31(27,28)16-8-5-7-14(11-16)19(26)23-22-18(25)12-15-13-30-20(21-15)17-9-6-10-29-17/h5-11,13H,3-4,12H2,1-2H3,(H,22,25)(H,23,26)
InChIKeyIEMZAKPMDCBDQM-UHFFFAOYSA-N
XLogP2.91
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.62
LogP ≤ 52.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide 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,N-diethyl-3-[[(4-oxo-4-thiophen-2-ylbutanoyl)amino]carbamoyl]benzenesulfonamide
CID 2712341
3-(diethylsulfamoyl)-N-(2-thiophen-2-ylphenyl)benzamide
CID 55469920
N,N-diethyl-3-[[(2-naphthalen-2-ylacetyl)amino]carbamoyl]benzenesulfonamide
CID 46651853
N,N-diethyl-1-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-3,4-dihydro-2H-quinoline-6-sulfonamide
CID 55435258
N-(3-sulfamoylphenyl)-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 34751638
N,N-diethyl-3-[[[2-(2-fluorophenyl)acetyl]amino]carbamoyl]benzenesulfonamide
CID 34523393
N'-[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-2-carbohydrazide
CID 24514859
N,N-diethyl-3-[(3-methylbutanoylamino)carbamoyl]benzenesulfonamide
CID 26654579
N-[2-(ethylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119508736
2-[2-(3-chlorophenyl)-1,3-thiazol-4-yl]-N-[3-(diethylsulfamoyl)phenyl]acetamide
CID 16560776
N-[2-(methylamino)ethyl]-2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetamide
CID 119503651
N-[3-[2-[3-(diethylsulfamoyl)benzoyl]hydrazinyl]-3-oxopropyl]thiophene-3-carboxamide
CID 30452714

Frequently Asked Questions

What is the IUPAC name of N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The IUPAC name of N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide (CID 25494413) is N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide.
What is the SMILES notation for N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The canonical SMILES for N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide is CCN(CC)S(=O)(=O)c1cccc(C(=O)NNC(=O)Cc2csc(-c3cccs3)n2)c1.
What is the InChIKey of N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
The InChIKey is IEMZAKPMDCBDQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N4O4S3/c1-3-24(4-2)31(27,28)16-8-5-7-14(11-16)19(26)23-22-18(25)12-15-13-30-20(21-15)17-9-6-10-29-17/h5-11,13H,3-4,12H2,1-2H3,(H,22,25)(H,23,26).
What are the key properties of N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide?
N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide has a molecular weight of 478.62 g/mol, XLogP of 2.91, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-diethyl-3-[[[2-(2-thiophen-2-yl-1,3-thiazol-4-yl)acetyl]amino]carbamoyl]benzenesulfonamide is sourced from PubChem (CID 25494413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).