N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide

C19H21N3O4S4 — CID 155947417

IUPACN-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(C1CSCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCSCC1
InChIInChI=1S/C19H21N3O4S4/c23-18(22-13-28-12-16(22)19(24)21-6-9-27-10-7-21)14-3-1-4-15(11-14)20-30(25,26)17-5-2-8-29-17/h1-5,8,11,16,20H,6-7,9-10,12-13H2
InChIKeyQOZSGWUOUIVYIC-UHFFFAOYSA-N
MW483.66 g/mol
LogP2.64
Rot. Bonds5

About N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide

N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide (PubChem CID 155947417) has the molecular formula C19H21N3O4S4 and a molecular weight of 483.66 g/mol. Its IUPAC name is N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide.

Molecular Properties

Compound NameN-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
PubChem CID155947417
Molecular FormulaC19H21N3O4S4
Molecular Weight483.66 g/mol
Exact Mass483.04
IUPAC NameN-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide
SMILESO=C(C1CSCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCSCC1
InChIInChI=1S/C19H21N3O4S4/c23-18(22-13-28-12-16(22)19(24)21-6-9-27-10-7-21)14-3-1-4-15(11-14)20-30(25,26)17-5-2-8-29-17/h1-5,8,11,16,20H,6-7,9-10,12-13H2
InChIKeyQOZSGWUOUIVYIC-UHFFFAOYSA-N
XLogP2.64
TPSA86.79 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500483.66
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide 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-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]benzoic acid
CID 120549774
(2R)-1-[3-(thiophen-2-ylsulfonylamino)benzoyl]pyrrolidine-2-carboxylic acid
CID 119370582
N-[3-(3,4-dihydro-1H-isoquinoline-2-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55786880
N-[3-(4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine-5-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55794078
N-[3-(2,5-dimethylmorpholine-4-carbonyl)phenyl]thiophene-2-sulfonamide
CID 55831038
N-[3-(4-amino-3,3-dimethylpiperidine-1-carbonyl)phenyl]thiophene-2-sulfonamide;hydrochloride
CID 120814349
N-[3-[3-(methylaminomethyl)pyrrolidine-1-carbonyl]phenyl]thiophene-2-sulfonamide;hydrochloride
CID 119540689
N-[3-[4-(6-chloro-2-pyridinyl)piperazine-1-carbonyl]phenyl]thiophene-2-sulfonamide
CID 55924296
N-(2-benzoyl-3,4-dihydro-1H-isoquinolin-7-yl)thiophene-2-sulfonamide
CID 16944267
[3-(2,3-dimethyl-1H-indole-5-carbonyl)-1,3-thiazolidin-4-yl]-thiomorpholin-4-ylmethanone
CID 49217018
3-(3-acetamidobenzoyl)-1,3-thiazolidine-4-carboxylic acid
CID 43359495
[4-(benzenesulfonyl)piperazin-1-yl]-[(4R)-3-benzoyl-1,3-thiazolidin-4-yl]methanone
CID 55941492

Frequently Asked Questions

What is the IUPAC name of N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide?
The IUPAC name of N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide (CID 155947417) is N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide.
What is the SMILES notation for N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide?
The canonical SMILES for N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide is O=C(C1CSCN1C(=O)c1cccc(NS(=O)(=O)c2cccs2)c1)N1CCSCC1.
What is the InChIKey of N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide?
The InChIKey is QOZSGWUOUIVYIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O4S4/c23-18(22-13-28-12-16(22)19(24)21-6-9-27-10-7-21)14-3-1-4-15(11-14)20-30(25,26)17-5-2-8-29-17/h1-5,8,11,16,20H,6-7,9-10,12-13H2.
What are the key properties of N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide?
N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide has a molecular weight of 483.66 g/mol, XLogP of 2.64, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[4-(thiomorpholine-4-carbonyl)-1,3-thiazolidine-3-carbonyl]phenyl]thiophene-2-sulfonamide is sourced from PubChem (CID 155947417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).