2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

C30H25N3O4S3 — CID 21171130

IUPAC2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1cccc(-c2csc(NC(=O)C(Sc3ccc(NS(=O)(=O)c4ccccc4)cc3)c3ccccc3)n2)c1
InChIInChI=1S/C30H25N3O4S3/c1-37-24-12-8-11-22(19-24)27-20-38-30(31-27)32-29(34)28(21-9-4-2-5-10-21)39-25-17-15-23(16-18-25)33-40(35,36)26-13-6-3-7-14-26/h2-20,28,33H,1H3,(H,31,32,34)
InChIKeyIMWOHXWZRYWPSJ-UHFFFAOYSA-N
MW587.75 g/mol
LogP7.09
Rot. Bonds10

About 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide

2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (PubChem CID 21171130) has the molecular formula C30H25N3O4S3 and a molecular weight of 587.75 g/mol. Its IUPAC name is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.

Molecular Properties

Compound Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
PubChem CID21171130
Molecular FormulaC30H25N3O4S3
Molecular Weight587.75 g/mol
Exact Mass587.10
IUPAC Name2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide
SMILESCOc1cccc(-c2csc(NC(=O)C(Sc3ccc(NS(=O)(=O)c4ccccc4)cc3)c3ccccc3)n2)c1
InChIInChI=1S/C30H25N3O4S3/c1-37-24-12-8-11-22(19-24)27-20-38-30(31-27)32-29(34)28(21-9-4-2-5-10-21)39-25-17-15-23(16-18-25)33-40(35,36)26-13-6-3-7-14-26/h2-20,28,33H,1H3,(H,31,32,34)
InChIKeyIMWOHXWZRYWPSJ-UHFFFAOYSA-N
XLogP7.09
TPSA97.39 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500587.75
LogP ≤ 57.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide 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-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanylpropanamide
CID 21168960
4-fluoro-N-[3-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899845
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3,4-dichlorophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170325
N-[(Z)-1-(3-chlorophenyl)-3-[4-[2-[[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylanilino]-3-oxoprop-1-en-2-yl]benzamide
CID 22191445
3-methoxy-N-[3-[2-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899616
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-ethoxyphenyl)-1,3-thiazol-2-yl]propanamide
CID 21168959
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(4-bromophenyl)-1,3-thiazol-2-yl]propanamide
CID 21170701
2-[4-[(4-methylphenyl)sulfonylamino]phenyl]sulfanyl-N-[4-(3-nitrophenyl)-1,3-thiazol-2-yl]propanamide
CID 21169815
3-methoxy-N-[3-[2-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18899631
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(5-methyl-1,3,4-thiadiazol-2-yl)-2-phenylacetamide
CID 23099752
N-[4-[2-[[4-(3,4-dimethoxyphenyl)-1,3-thiazol-2-yl]amino]-2-oxo-1-phenylethyl]sulfanylphenyl]naphthalene-2-carboxamide
CID 19712262
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-(4-phenoxyphenyl)-2-phenylacetamide
CID 21170426

Frequently Asked Questions

What is the IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The IUPAC name of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide (CID 21171130) is 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide.
What is the SMILES notation for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The canonical SMILES for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is COc1cccc(-c2csc(NC(=O)C(Sc3ccc(NS(=O)(=O)c4ccccc4)cc3)c3ccccc3)n2)c1.
What is the InChIKey of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
The InChIKey is IMWOHXWZRYWPSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H25N3O4S3/c1-37-24-12-8-11-22(19-24)27-20-38-30(31-27)32-29(34)28(21-9-4-2-5-10-21)39-25-17-15-23(16-18-25)33-40(35,36)26-13-6-3-7-14-26/h2-20,28,33H,1H3,(H,31,32,34).
What are the key properties of 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide?
2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide has a molecular weight of 587.75 g/mol, XLogP of 7.09, 10 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(benzenesulfonamido)phenyl]sulfanyl-N-[4-(3-methoxyphenyl)-1,3-thiazol-2-yl]-2-phenylacetamide is sourced from PubChem (CID 21171130), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).