4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide

C22H26ClN3O4S — CID 46537091

IUPAC4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-15(2)14-20(25-21(27)16-4-6-17(23)7-5-16)22(28)24-18-8-10-19(11-9-18)26-12-3-13-31(26,29)30/h4-11,15,20H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKRUIAJWIGXLVDF-UHFFFAOYSA-N
MW463.99 g/mol
LogP3.66
Rot. Bonds7

About 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide

4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide (PubChem CID 46537091) has the molecular formula C22H26ClN3O4S and a molecular weight of 463.99 g/mol. Its IUPAC name is 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide.

Molecular Properties

Compound Name4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
PubChem CID46537091
Molecular FormulaC22H26ClN3O4S
Molecular Weight463.99 g/mol
Exact Mass463.13
IUPAC Name4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
SMILESCC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1
InChIInChI=1S/C22H26ClN3O4S/c1-15(2)14-20(25-21(27)16-4-6-17(23)7-5-16)22(28)24-18-8-10-19(11-9-18)26-12-3-13-31(26,29)30/h4-11,15,20H,3,12-14H2,1-2H3,(H,24,28)(H,25,27)
InChIKeyKRUIAJWIGXLVDF-UHFFFAOYSA-N
XLogP3.66
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.99
LogP ≤ 53.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(2R)-1-anilino-4-methyl-1-oxopentan-2-yl]-4-chlorobenzamide
CID 40701331
(2S)-2-(4-chlorophenyl)-2-(dimethylamino)-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]acetamide
CID 92614522
(2R)-2-[[4-(1,1-dioxo-1,2-thiazolidin-2-yl)-2-methylbenzoyl]amino]-4-methylpentanoic acid
CID 119363037
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-methylbenzamide
CID 7627515
N-[(4-chlorophenyl)methyl]-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 20937866
4-[3-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]prop-2-enoylamino]-N-propan-2-ylbenzamide
CID 55887283
N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]-4-piperidin-1-ylbenzamide
CID 46979712
N-(3-chloro-4-fluorophenyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51246208
4-chloro-N-[(2R)-1-[4-(cyanomethyl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide
CID 9260032
N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methylsulfanyl-1-oxobutan-2-yl]-3-methylbenzamide
CID 42932781
4-benzamido-N-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]benzamide
CID 55535899
N-(5-chloro-2-pyridinyl)-4-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 51250658

Frequently Asked Questions

What is the IUPAC name of 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide?
The IUPAC name of 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide (CID 46537091) is 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide.
What is the SMILES notation for 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide?
The canonical SMILES for 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide is CC(C)CC(NC(=O)c1ccc(Cl)cc1)C(=O)Nc1ccc(N2CCCS2(=O)=O)cc1.
What is the InChIKey of 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide?
The InChIKey is KRUIAJWIGXLVDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClN3O4S/c1-15(2)14-20(25-21(27)16-4-6-17(23)7-5-16)22(28)24-18-8-10-19(11-9-18)26-12-3-13-31(26,29)30/h4-11,15,20H,3,12-14H2,1-2H3,(H,24,28)(H,25,27).
What are the key properties of 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide?
4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide has a molecular weight of 463.99 g/mol, XLogP of 3.66, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-N-[1-[4-(1,1-dioxo-1,2-thiazolidin-2-yl)anilino]-4-methyl-1-oxopentan-2-yl]benzamide is sourced from PubChem (CID 46537091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).