1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

C24H31ClN2O6S — CID 28551671

IUPAC1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1Cl
InChIInChI=1S/C24H31ClN2O6S/c1-5-33-21-9-7-19(15-20(21)25)34(29,30)27-12-10-17(11-13-27)24(28)26-16(2)18-6-8-22(31-3)23(14-18)32-4/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,28)/t16-/m1/s1
InChIKeyOLKHTWLUBOJGPB-MRXNPFEDSA-N
MW511.04 g/mol
LogP4.03
Rot. Bonds9

About 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide

1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (PubChem CID 28551671) has the molecular formula C24H31ClN2O6S and a molecular weight of 511.04 g/mol. Its IUPAC name is 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.

Molecular Properties

Compound Name1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
PubChem CID28551671
Molecular FormulaC24H31ClN2O6S
Molecular Weight511.04 g/mol
Exact Mass510.16
IUPAC Name1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide
SMILESCCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1Cl
InChIInChI=1S/C24H31ClN2O6S/c1-5-33-21-9-7-19(15-20(21)25)34(29,30)27-12-10-17(11-13-27)24(28)26-16(2)18-6-8-22(31-3)23(14-18)32-4/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,28)/t16-/m1/s1
InChIKeyOLKHTWLUBOJGPB-MRXNPFEDSA-N
XLogP4.03
TPSA94.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500511.04
LogP ≤ 54.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 28551663
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1S)-1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 28551652
1-(4-ethoxy-3-methylphenyl)sulfonyl-N-[1-(4-methoxyphenyl)ethyl]piperidine-4-carboxamide
CID 43873109
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(4-methylsulfanylphenyl)ethyl]piperidine-4-carboxamide
CID 43873075
N-[(1R)-1-(4-bromophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 28550998
2-(2-chloro-4-piperidin-1-ylsulfonylphenoxy)-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43873697
1-(3-chloro-4-methoxyphenyl)sulfonyl-N-[1-(2,4,5-trimethylphenyl)ethyl]piperidine-4-carboxamide
CID 43906676
N-[1-(3,4-dimethoxyphenyl)ethyl]-1-methylsulfonylpiperidine-4-carboxamide
CID 43873049
N-[1-(3-bromophenyl)ethyl]-1-(3,4-dimethoxyphenyl)sulfonylpiperidine-4-carboxamide
CID 43873030
1-(5-chloro-2-ethoxyphenyl)sulfonyl-N-[(1S)-1-(4-chlorophenyl)ethyl]piperidine-4-carboxamide
CID 28551537
1-ethylsulfonyl-N-[(1R)-1-[3-methoxy-4-(2-methylpropoxy)phenyl]ethyl]piperidine-4-carboxamide
CID 51940554
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-1-(2-methoxy-5-methylphenyl)sulfonylpiperidine-4-carboxamide
CID 28551367

Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The IUPAC name of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide (CID 28551671) is 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide.
What is the SMILES notation for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The canonical SMILES for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is CCOc1ccc(S(=O)(=O)N2CCC(C(=O)N[C@H](C)c3ccc(OC)c(OC)c3)CC2)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
The InChIKey is OLKHTWLUBOJGPB-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H31ClN2O6S/c1-5-33-21-9-7-19(15-20(21)25)34(29,30)27-12-10-17(11-13-27)24(28)26-16(2)18-6-8-22(31-3)23(14-18)32-4/h6-9,14-17H,5,10-13H2,1-4H3,(H,26,28)/t16-/m1/s1.
What are the key properties of 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide?
1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide has a molecular weight of 511.04 g/mol, XLogP of 4.03, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-ethoxyphenyl)sulfonyl-N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]piperidine-4-carboxamide is sourced from PubChem (CID 28551671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).