N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide

C23H30N2O4S — CID 46591480

IUPACN-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H30N2O4S/c1-17-12-13-19(16-22(17)30(27,28)25-14-8-5-9-15-25)23(26)24(3)18(2)20-10-6-7-11-21(20)29-4/h6-7,10-13,16,18H,5,8-9,14-15H2,1-4H3
InChIKeyVPRALAUZNALVIJ-UHFFFAOYSA-N
MW430.57 g/mol
LogP4.01
Rot. Bonds6

About N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide

N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 46591480) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
PubChem CID46591480
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1
InChIInChI=1S/C23H30N2O4S/c1-17-12-13-19(16-22(17)30(27,28)25-14-8-5-9-15-25)23(26)24(3)18(2)20-10-6-7-11-21(20)29-4/h6-7,10-13,16,18H,5,8-9,14-15H2,1-4H3
InChIKeyVPRALAUZNALVIJ-UHFFFAOYSA-N
XLogP4.01
TPSA66.92 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-methoxy-N-[1-(2-methoxyphenyl)ethyl]-N-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 43060653
N-[1-(2,5-dimethoxyphenyl)ethyl]-4-methyl-3-piperidin-1-ylsulfonylbenzamide
CID 133210137
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
3-(benzylsulfamoyl)-N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethylbenzamide
CID 55580512
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
[4-(2-methoxyphenyl)piperazin-1-yl]-(4-methyl-3-piperidin-1-ylsulfonylphenyl)methanone
CID 2335095
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024
N-benzyl-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 26912781
N-[(5-bromo-2-methoxyphenyl)methyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide
CID 17426865
4-fluoro-N-[(1S)-1-(2-methoxyphenyl)ethyl]-3-piperidin-1-ylsulfonylbenzamide
CID 26618996
N,4-dimethyl-N-naphthalen-2-yl-3-piperidin-1-ylsulfonylbenzamide
CID 26904308
4-fluoro-N-(2-methoxyphenyl)-N-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 55886733

Frequently Asked Questions

What is the IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide (CID 46591480) is N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide is COc1ccccc1C(C)N(C)C(=O)c1ccc(C)c(S(=O)(=O)N2CCCCC2)c1.
What is the InChIKey of N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is VPRALAUZNALVIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17-12-13-19(16-22(17)30(27,28)25-14-8-5-9-15-25)23(26)24(3)18(2)20-10-6-7-11-21(20)29-4/h6-7,10-13,16,18H,5,8-9,14-15H2,1-4H3.
What are the key properties of N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide?
N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 4.01, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-methoxyphenyl)ethyl]-N,4-dimethyl-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 46591480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).