N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

C23H30N2O4S — CID 94018529

IUPACN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1
InChIInChI=1S/C23H30N2O4S/c1-16-11-13-25(14-12-16)30(27,28)21-10-5-17(2)22(15-21)23(26)24-18(3)19-6-8-20(29-4)9-7-19/h5-10,15-16,18H,11-14H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyACDMSNDJAHZWET-GOSISDBHSA-N
MW430.57 g/mol
LogP3.92
Rot. Bonds6

About N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide

N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (PubChem CID 94018529) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
PubChem CID94018529
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC NameN-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
SMILESCOc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1
InChIInChI=1S/C23H30N2O4S/c1-16-11-13-25(14-12-16)30(27,28)21-10-5-17(2)22(15-21)23(26)24-18(3)19-6-8-20(29-4)9-7-19/h5-10,15-16,18H,11-14H2,1-4H3,(H,24,26)/t18-/m1/s1
InChIKeyACDMSNDJAHZWET-GOSISDBHSA-N
XLogP3.92
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-N-[1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 43876623
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28575758
N-[1-(4-methoxyphenyl)ethyl]-2-methyl-5-piperidin-1-ylsulfonylbenzamide
CID 53281847
N-[(1S)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-morpholin-4-ylsulfonylbenzamide
CID 92678124
N-[1-(2,5-dimethoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 133166535
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94012776
2-chloro-N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 28631183
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671764
2-methyl-N-[1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 43875293
2-methyl-N-[(1S)-1-(4-methylphenyl)ethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 28564653
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-pyrrolidin-1-ylsulfonylbenzamide
CID 41077425

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide (CID 94018529) is N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is COc1ccc([C@@H](C)NC(=O)c2cc(S(=O)(=O)N3CCC(C)CC3)ccc2C)cc1.
What is the InChIKey of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
The InChIKey is ACDMSNDJAHZWET-GOSISDBHSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-16-11-13-25(14-12-16)30(27,28)21-10-5-17(2)22(15-21)23(26)24-18(3)19-6-8-20(29-4)9-7-19/h5-10,15-16,18H,11-14H2,1-4H3,(H,24,26)/t18-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide?
N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.92, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methoxyphenyl)ethyl]-2-methyl-5-(4-methylpiperidin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 94018529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).