2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide

C24H30Cl2N4O3S — CID 166030992

IUPAC2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCC1CC(N2CC(Nc3ccc(C(=O)N(C)C)c(Cl)c3)C2)CCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-16-12-19(10-11-30(16)34(32,33)23-7-5-4-6-21(23)25)29-14-18(15-29)27-17-8-9-20(22(26)13-17)24(31)28(2)3/h4-9,13,16,18-19,27H,10-12,14-15H2,1-3H3
InChIKeyHWXJPQRTEITYJB-UHFFFAOYSA-N
MW525.50 g/mol
LogP4.03
Rot. Bonds6

About 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide

2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide (PubChem CID 166030992) has the molecular formula C24H30Cl2N4O3S and a molecular weight of 525.50 g/mol. Its IUPAC name is 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
PubChem CID166030992
Molecular FormulaC24H30Cl2N4O3S
Molecular Weight525.50 g/mol
Exact Mass524.14
IUPAC Name2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
SMILESCC1CC(N2CC(Nc3ccc(C(=O)N(C)C)c(Cl)c3)C2)CCN1S(=O)(=O)c1ccccc1Cl
InChIInChI=1S/C24H30Cl2N4O3S/c1-16-12-19(10-11-30(16)34(32,33)23-7-5-4-6-21(23)25)29-14-18(15-29)27-17-8-9-20(22(26)13-17)24(31)28(2)3/h4-9,13,16,18-19,27H,10-12,14-15H2,1-3H3
InChIKeyHWXJPQRTEITYJB-UHFFFAOYSA-N
XLogP4.03
TPSA72.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500525.50
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-(azetidin-3-yl)azetidin-3-yl]amino]-2-chloro-N,N-dimethylbenzamide
CID 166030872
2-chloro-4-[[1-[1-(2-hydroxy-2-phenylacetyl)pyrrolidin-3-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 166085122
2-chloro-N,N-dimethyl-4-[(1-piperidin-4-ylazetidin-3-yl)amino]benzamide;hydrochloride
CID 166030777
2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2,3-dimethylbutanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide;sulfane
CID 167587543
2-chloro-4-[[1-[1-[(2S)-2-hydroxy-2-(3-methylphenyl)propanoyl]piperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide
CID 167619136
2-chloro-4-[[(3S)-1-[1-(2-hydroxy-2,3-dimethylbutanoyl)piperidin-4-yl]pyrrolidin-3-yl]amino]-N,N-dimethylbenzamide
CID 167549746
2-chloro-N,N-dimethyl-4-[[1-[1-[1-(trifluoromethyl)cyclopentanecarbonyl]piperidin-4-yl]azetidin-3-yl]amino]benzamide
CID 166030737
tert-butyl 6-[3-[3-chloro-4-(dimethylcarbamoyl)anilino]azetidin-1-yl]-2-azaspiro[3.3]heptane-2-carboxylate
CID 166030591
2-chloro-N,N-dimethyl-4-[[1-[2-(3,3,3-trifluoro-2-hydroxy-2-phenylpropanoyl)-2-azaspiro[3.3]heptan-6-yl]azetidin-3-yl]amino]benzamide
CID 166030815
1-[4-[3-[3-chloro-4-(3-methylazetidine-1-carbonyl)anilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one
CID 167695461
(2S)-1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-hydroxy-2-phenylpropan-1-one;sulfane
CID 167549708
1-[4-[3-[4-(4-acetylpiperazine-1-carbonyl)-3-chloroanilino]azetidin-1-yl]piperidin-1-yl]-2-sulfanylethanone
CID 166085270

Frequently Asked Questions

What is the IUPAC name of 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The IUPAC name of 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide (CID 166030992) is 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide.
What is the SMILES notation for 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The canonical SMILES for 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide is CC1CC(N2CC(Nc3ccc(C(=O)N(C)C)c(Cl)c3)C2)CCN1S(=O)(=O)c1ccccc1Cl.
What is the InChIKey of 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
The InChIKey is HWXJPQRTEITYJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30Cl2N4O3S/c1-16-12-19(10-11-30(16)34(32,33)23-7-5-4-6-21(23)25)29-14-18(15-29)27-17-8-9-20(22(26)13-17)24(31)28(2)3/h4-9,13,16,18-19,27H,10-12,14-15H2,1-3H3.
What are the key properties of 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide?
2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide has a molecular weight of 525.50 g/mol, XLogP of 4.03, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-4-[[1-[1-(2-chlorophenyl)sulfonyl-2-methylpiperidin-4-yl]azetidin-3-yl]amino]-N,N-dimethylbenzamide is sourced from PubChem (CID 166030992), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).