2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide

C24H21ClN4O2S — CID 155063343

IUPAC2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide
SMILESCc1c(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)=O)cnn1-c1ccccc1
InChIInChI=1S/C24H21ClN4O2S/c1-16-21(15-27-29(16)19-8-3-2-4-9-19)20-12-11-18(14-23(20)32(26)31)28-24(30)13-17-7-5-6-10-22(17)25/h2-12,14-15H,13,26H2,1H3,(H,28,30)
InChIKeyLVMDWOGTTUCXPE-UHFFFAOYSA-N
MW464.98 g/mol
LogP4.66
Rot. Bonds6

About 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide

2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide (PubChem CID 155063343) has the molecular formula C24H21ClN4O2S and a molecular weight of 464.98 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide
PubChem CID155063343
Molecular FormulaC24H21ClN4O2S
Molecular Weight464.98 g/mol
Exact Mass464.11
IUPAC Name2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide
SMILESCc1c(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)=O)cnn1-c1ccccc1
InChIInChI=1S/C24H21ClN4O2S/c1-16-21(15-27-29(16)19-8-3-2-4-9-19)20-12-11-18(14-23(20)32(26)31)28-24(30)13-17-7-5-6-10-22(17)25/h2-12,14-15H,13,26H2,1H3,(H,28,30)
InChIKeyLVMDWOGTTUCXPE-UHFFFAOYSA-N
XLogP4.66
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.98
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-chlorophenyl)-N-[4-[1-(oxetan-3-yl)pyrazol-4-yl]-3-sulfinamoylphenyl]acetamide
CID 155485786
2-(2-chlorophenyl)-N-[3-sulfinamoyl-4-[4-(2,2,2-trifluoroethyl)pyrazol-1-yl]phenyl]acetamide
CID 155063475
2-(2-chlorophenyl)-N-(2-phenyl-5-sulfinamoyl-3,4-dihydro-1H-isoquinolin-7-yl)acetamide
CID 167215579
2-(2-chlorophenyl)-N-(3-chloro-5-sulfinamoylisoquinolin-7-yl)acetamide
CID 167215661
N-(3-amino-4-methylphenyl)-2-(2-chlorophenyl)acetamide
CID 24694774
N-(4-amino-3,5-dichlorophenyl)-2-(2-chlorophenyl)acetamide
CID 46665625
2-(2-chlorophenyl)-N-[4-(4-methyl-5-oxotetrazol-1-yl)phenyl]acetamide
CID 71790973
N-(3-chloro-4-methylphenyl)-2-(3,5-dimethyl-1-phenylpyrazol-4-yl)acetamide
CID 9043581
N-(3-acetamidophenyl)-2-(2-chlorophenyl)acetamide
CID 7914432
N-[3-chloro-4-(1,3-oxazol-5-yl)phenyl]-2-(2-chlorophenyl)acetamide
CID 148839325
2-(2-chlorophenyl)-N-[4-methyl-3-(trifluoromethyl)phenyl]acetamide
CID 18290212
ethyl 5-[[2-(2-chlorophenyl)acetyl]amino]pyrazolo[1,5-a]pyridine-3-carboxylate
CID 71797808

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide (CID 155063343) is 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide is Cc1c(-c2ccc(NC(=O)Cc3ccccc3Cl)cc2S(N)=O)cnn1-c1ccccc1.
What is the InChIKey of 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide?
The InChIKey is LVMDWOGTTUCXPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21ClN4O2S/c1-16-21(15-27-29(16)19-8-3-2-4-9-19)20-12-11-18(14-23(20)32(26)31)28-24(30)13-17-7-5-6-10-22(17)25/h2-12,14-15H,13,26H2,1H3,(H,28,30).
What are the key properties of 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide?
2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide has a molecular weight of 464.98 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-[4-(5-methyl-1-phenylpyrazol-4-yl)-3-sulfinamoylphenyl]acetamide is sourced from PubChem (CID 155063343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).