N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

C29H28N4O2S2 — CID 142860668

IUPACN-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2\S/C(=C\S/C=C(/c3ccccc3)N(C)C)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C29H28N4O2S2/c1-21(34)30-24-14-16-25(17-15-24)31-29-33(18-22-10-6-4-7-11-22)28(35)27(37-29)20-36-19-26(32(2)3)23-12-8-5-9-13-23/h4-17,19-20H,18H2,1-3H3,(H,30,34)/b26-19-,27-20-,31-29-
InChIKeyFTWLQFRZAXLGEQ-GOWMVNBHSA-N
MW528.70 g/mol
LogP6.54
Rot. Bonds8

About N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide

N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (PubChem CID 142860668) has the molecular formula C29H28N4O2S2 and a molecular weight of 528.70 g/mol. Its IUPAC name is N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.

Molecular Properties

Compound NameN-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
PubChem CID142860668
Molecular FormulaC29H28N4O2S2
Molecular Weight528.70 g/mol
Exact Mass528.17
IUPAC NameN-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
SMILESCC(=O)Nc1ccc(/N=C2\S/C(=C\S/C=C(/c3ccccc3)N(C)C)C(=O)N2Cc2ccccc2)cc1
InChIInChI=1S/C29H28N4O2S2/c1-21(34)30-24-14-16-25(17-15-24)31-29-33(18-22-10-6-4-7-11-22)28(35)27(37-29)20-36-19-26(32(2)3)23-12-8-5-9-13-23/h4-17,19-20H,18H2,1-3H3,(H,30,34)/b26-19-,27-20-,31-29-
InChIKeyFTWLQFRZAXLGEQ-GOWMVNBHSA-N
XLogP6.54
TPSA65.01 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.70
LogP ≤ 56.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide 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

methyl 4-[[(5E)-3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 21231926
ethyl 4-[[3-benzyl-5-(2-methoxy-2-oxoethylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoate
CID 4033933
N-[4-[[(5Z)-3-benzyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 10288147
N-[4-[[3-benzyl-5-(3-methyl-1,3-thiazolidin-2-ylidene)-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide
CID 87373984
methyl (2E)-2-[3-[(4-fluorophenyl)methyl]-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene]acetate
CID 7323961
4-[(3-benzyl-4-oxo-2-phenylimino-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
CID 5018189
(5E)-3-benzyl-5-[(2-chlorophenyl)methylidene]-2-phenylimino-1,3-thiazolidin-4-one
CID 5290213
4-[[(5E)-5-(2-methoxy-2-oxoethylidene)-4-oxo-3-(2-phenylethyl)-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 7318811
methyl 2-[3-benzyl-4-oxo-2-[[5-(phenylcarbamoyl)-1H-imidazol-4-yl]imino]-1,3-thiazolidin-5-ylidene]acetate
CID 4112134
methyl (2E)-2-[3-benzyl-4-oxo-2-[[5-(phenylcarbamoyl)-1H-imidazol-4-yl]imino]-1,3-thiazolidin-5-ylidene]acetate
CID 1497378
4-[[5-[3-[4-(dimethylamino)phenyl]prop-2-enylidene]-4-oxo-2-phenylimino-1,3-thiazolidin-3-yl]methyl]benzoic acid
CID 3948441
4-[[(5Z)-5-[(1-benzylindol-3-yl)methylidene]-3-ethyl-4-oxo-1,3-thiazolidin-2-ylidene]amino]benzoic acid
CID 6208643

Frequently Asked Questions

What is the IUPAC name of N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The IUPAC name of N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide (CID 142860668) is N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide.
What is the SMILES notation for N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The canonical SMILES for N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is CC(=O)Nc1ccc(/N=C2\S/C(=C\S/C=C(/c3ccccc3)N(C)C)C(=O)N2Cc2ccccc2)cc1.
What is the InChIKey of N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
The InChIKey is FTWLQFRZAXLGEQ-GOWMVNBHSA-N. The full InChI is InChI=1S/C29H28N4O2S2/c1-21(34)30-24-14-16-25(17-15-24)31-29-33(18-22-10-6-4-7-11-22)28(35)27(37-29)20-36-19-26(32(2)3)23-12-8-5-9-13-23/h4-17,19-20H,18H2,1-3H3,(H,30,34)/b26-19-,27-20-,31-29-.
What are the key properties of N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide?
N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide has a molecular weight of 528.70 g/mol, XLogP of 6.54, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[(5Z)-3-benzyl-5-[[(Z)-2-(dimethylamino)-2-phenylethenyl]sulfanylmethylidene]-4-oxo-1,3-thiazolidin-2-ylidene]amino]phenyl]acetamide is sourced from PubChem (CID 142860668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).