N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

C21H25BrN2O4S — CID 28557782

IUPACN-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25BrN2O4S/c1-15(16-6-9-18(22)10-7-16)23-21(25)17-8-11-19(28-2)20(14-17)29(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyMASQGCSNORHVMC-OAHLLOKOSA-N
MW481.41 g/mol
LogP4.12
Rot. Bonds6

About N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide

N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (PubChem CID 28557782) has the molecular formula C21H25BrN2O4S and a molecular weight of 481.41 g/mol. Its IUPAC name is N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
PubChem CID28557782
Molecular FormulaC21H25BrN2O4S
Molecular Weight481.41 g/mol
Exact Mass480.07
IUPAC NameN-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide
SMILESCOc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1
InChIInChI=1S/C21H25BrN2O4S/c1-15(16-6-9-18(22)10-7-16)23-21(25)17-8-11-19(28-2)20(14-17)29(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)/t15-/m1/s1
InChIKeyMASQGCSNORHVMC-OAHLLOKOSA-N
XLogP4.12
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.41
LogP ≤ 54.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1S)-1-(4-fluorophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27773305
3-(azepan-1-ylsulfonyl)-4-methoxy-N-[(1S)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883151
N-[1-(2-bromophenyl)ethyl]-4-methoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 112762593
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 94026864
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
4-methoxy-N-[(2S)-1-piperidin-1-ylpropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 35121300
4-methoxy-N-[(1S)-1-(4-methylsulfanylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 28557822
3-(azepan-1-ylsulfonyl)-N,4-dimethoxybenzamide
CID 33100558
N-[1-(4-bromophenyl)ethyl]-3,4-dimethoxybenzamide
CID 43874047
N,4-dimethoxy-3-pyrrolidin-1-ylsulfonylbenzamide
CID 27745107
3-bromo-N-[1-(4-bromophenyl)ethyl]-4-methoxybenzamide
CID 60661014
3-(azepan-1-ylsulfonyl)-4-chloro-N-[(1R)-1-(2-methoxyphenyl)ethyl]benzamide
CID 26883024

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide (CID 28557782) is N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is COc1ccc(C(=O)N[C@H](C)c2ccc(Br)cc2)cc1S(=O)(=O)N1CCCCC1.
What is the InChIKey of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
The InChIKey is MASQGCSNORHVMC-OAHLLOKOSA-N. The full InChI is InChI=1S/C21H25BrN2O4S/c1-15(16-6-9-18(22)10-7-16)23-21(25)17-8-11-19(28-2)20(14-17)29(26,27)24-12-4-3-5-13-24/h6-11,14-15H,3-5,12-13H2,1-2H3,(H,23,25)/t15-/m1/s1.
What are the key properties of N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide?
N-[(1R)-1-(4-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide has a molecular weight of 481.41 g/mol, XLogP of 4.12, 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-bromophenyl)ethyl]-4-methoxy-3-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 28557782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).