2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

C32H26Cl2N4O3S — CID 18912624

IUPAC2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCc1c(NC(=O)C(Sc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C32H26Cl2N4O3S/c1-20-28(32(41)38(37(20)2)24-13-7-4-8-14-24)36-31(40)29(21-10-5-3-6-11-21)42-25-15-9-12-23(19-25)35-30(39)26-17-16-22(33)18-27(26)34/h3-19,29H,1-2H3,(H,35,39)(H,36,40)
InChIKeyGEFAGPVBXFGTSV-UHFFFAOYSA-N
MW617.56 g/mol
LogP7.52
Rot. Bonds8

About 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide

2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (PubChem CID 18912624) has the molecular formula C32H26Cl2N4O3S and a molecular weight of 617.56 g/mol. Its IUPAC name is 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.

Molecular Properties

Compound Name2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
PubChem CID18912624
Molecular FormulaC32H26Cl2N4O3S
Molecular Weight617.56 g/mol
Exact Mass616.11
IUPAC Name2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
SMILESCc1c(NC(=O)C(Sc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c2ccccc2)c(=O)n(-c2ccccc2)n1C
InChIInChI=1S/C32H26Cl2N4O3S/c1-20-28(32(41)38(37(20)2)24-13-7-4-8-14-24)36-31(40)29(21-10-5-3-6-11-21)42-25-15-9-12-23(19-25)35-30(39)26-17-16-22(33)18-27(26)34/h3-19,29H,1-2H3,(H,35,39)(H,36,40)
InChIKeyGEFAGPVBXFGTSV-UHFFFAOYSA-N
XLogP7.52
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.56
LogP ≤ 57.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide 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

(2R)-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenyl-2-phenylsulfanylacetamide
CID 1221916
2,4-dichloro-N-[3-[2-(3-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902308
2,4-dichloro-N-[3-[2-oxo-1-phenyl-2-[2,3,5,6-tetrafluoro-4-(trifluoromethyl)anilino]ethyl]sulfanylphenyl]benzamide
CID 18902361
N-[3-[2-(4-bromoanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2,4-dichlorobenzamide
CID 18902302
2-[4-[[2-(4-chlorophenyl)acetyl]amino]phenyl]sulfanyl-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-phenylacetamide
CID 21171403
2-[[3-[1-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-1-oxobutan-2-yl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18898530
2,4-dichloro-N-[3-[2-(2-ethoxyanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide
CID 18902348
5-chloro-N-[3-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)carbamoyl]phenyl]-2-fluorobenzamide
CID 46615911
4-chloro-N-(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)-2-iodobenzamide
CID 39705744
2-[[3-[2-(3-chloroanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]carbamoyl]benzoic acid
CID 18895765
N-[3-[2-(5-chloro-2-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-fluorobenzamide
CID 18904038
N-[3-[2-(3-chloro-4-methylanilino)-2-oxo-1-phenylethyl]sulfanylphenyl]-2-methylbenzamide
CID 18906629

Frequently Asked Questions

What is the IUPAC name of 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The IUPAC name of 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide (CID 18912624) is 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide.
What is the SMILES notation for 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The canonical SMILES for 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is Cc1c(NC(=O)C(Sc2cccc(NC(=O)c3ccc(Cl)cc3Cl)c2)c2ccccc2)c(=O)n(-c2ccccc2)n1C.
What is the InChIKey of 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
The InChIKey is GEFAGPVBXFGTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26Cl2N4O3S/c1-20-28(32(41)38(37(20)2)24-13-7-4-8-14-24)36-31(40)29(21-10-5-3-6-11-21)42-25-15-9-12-23(19-25)35-30(39)26-17-16-22(33)18-27(26)34/h3-19,29H,1-2H3,(H,35,39)(H,36,40).
What are the key properties of 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide?
2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide has a molecular weight of 617.56 g/mol, XLogP of 7.52, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dichloro-N-[3-[2-[(1,5-dimethyl-3-oxo-2-phenylpyrazol-4-yl)amino]-2-oxo-1-phenylethyl]sulfanylphenyl]benzamide is sourced from PubChem (CID 18912624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).