4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide

C22H25ClN2O4S — CID 55455837

IUPAC4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C22H25ClN2O4S/c1-24-20(26)17-7-5-16(6-8-17)15-25(2)21(27)22(13-3-4-14-22)30(28,29)19-11-9-18(23)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyBTVLQCCHYQDBCK-UHFFFAOYSA-N
MW448.97 g/mol
LogP3.44
Rot. Bonds6

About 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide

4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide (PubChem CID 55455837) has the molecular formula C22H25ClN2O4S and a molecular weight of 448.97 g/mol. Its IUPAC name is 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
PubChem CID55455837
Molecular FormulaC22H25ClN2O4S
Molecular Weight448.97 g/mol
Exact Mass448.12
IUPAC Name4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide
SMILESCNC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1
InChIInChI=1S/C22H25ClN2O4S/c1-24-20(26)17-7-5-16(6-8-17)15-25(2)21(27)22(13-3-4-14-22)30(28,29)19-11-9-18(23)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,24,26)
InChIKeyBTVLQCCHYQDBCK-UHFFFAOYSA-N
XLogP3.44
TPSA83.55 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.97
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[(1-hydroxycyclopentanecarbonyl)-methylamino]methyl]-N-methylbenzamide
CID 110907310
4-[[3-(4-chlorophenyl)sulfonylpropanoyl-methylamino]methyl]-N-methylbenzamide
CID 8964829
2-[(4-chlorophenyl)sulfonylamino]-N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]benzamide
CID 38743723
N-(1H-benzimidazol-2-ylmethyl)-1-(4-chlorophenyl)sulfonyl-N-methylcyclopentane-1-carboxamide
CID 138998278
1-amino-N-[(4-chlorophenyl)methyl]-N-methylcyclopentane-1-carboxamide
CID 60938892
1-(4-chlorophenyl)sulfonyl-N-[3-(methylamino)propyl]cyclopentane-1-carboxamide
CID 119430175
methyl 1-(4-chlorophenyl)sulfonylcyclopentane-1-carboxylate
CID 52542659
4-[[[2-[(4-chlorophenyl)methylsulfanyl]acetyl]-methylamino]methyl]-N-methylbenzamide
CID 51233025
N-methyl-N-[[4-(methylcarbamoyl)phenyl]methyl]adamantane-1-carboxamide
CID 38747131
N-benzyl-1-(4-chlorophenyl)sulfonyl-N-ethylcyclopropane-1-carboxamide
CID 22429142
1-(4-chlorophenyl)sulfonyl-N-(2-hydroxyethyl)cyclopentane-1-carboxamide
CID 78840798
N-[(4-chlorophenyl)methyl]-1-cyano-N-methylcyclopropane-1-carboxamide
CID 80597882

Frequently Asked Questions

What is the IUPAC name of 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The IUPAC name of 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide (CID 55455837) is 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide.
What is the SMILES notation for 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The canonical SMILES for 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide is CNC(=O)c1ccc(CN(C)C(=O)C2(S(=O)(=O)c3ccc(Cl)cc3)CCCC2)cc1.
What is the InChIKey of 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
The InChIKey is BTVLQCCHYQDBCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClN2O4S/c1-24-20(26)17-7-5-16(6-8-17)15-25(2)21(27)22(13-3-4-14-22)30(28,29)19-11-9-18(23)10-12-19/h5-12H,3-4,13-15H2,1-2H3,(H,24,26).
What are the key properties of 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide?
4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide has a molecular weight of 448.97 g/mol, XLogP of 3.44, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[1-(4-chlorophenyl)sulfonylcyclopentanecarbonyl]-methylamino]methyl]-N-methylbenzamide is sourced from PubChem (CID 55455837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).