(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide

C20H24BrN3O4S — CID 26295997

IUPAC(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-15(20(25)22-17-5-3-4-16(21)14-17)23-10-12-24(13-11-23)29(26,27)19-8-6-18(28-2)7-9-19/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyPIFPMDMOVFVSFP-HNNXBMFYSA-N
MW482.40 g/mol
LogP2.79
Rot. Bonds6

About (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 26295997) has the molecular formula C20H24BrN3O4S and a molecular weight of 482.40 g/mol. Its IUPAC name is (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID26295997
Molecular FormulaC20H24BrN3O4S
Molecular Weight482.40 g/mol
Exact Mass481.07
IUPAC Name(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1
InChIInChI=1S/C20H24BrN3O4S/c1-15(20(25)22-17-5-3-4-16(21)14-17)23-10-12-24(13-11-23)29(26,27)19-8-6-18(28-2)7-9-19/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/t15-/m0/s1
InChIKeyPIFPMDMOVFVSFP-HNNXBMFYSA-N
XLogP2.79
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500482.40
LogP ≤ 52.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 8742773
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2R)-2-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-N-(3,4-difluorophenyl)propanamide
CID 25497744
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
N-(4-bromophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 4824621
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2471637
2-[4-(3-bromophenyl)sulfonylpiperazin-1-yl]-N-propan-2-ylpropanamide
CID 60516391
N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4969649
(2S)-N-(3-cyanophenyl)-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
CID 2102796
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (CID 26295997) is (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)Nc3cccc(Br)c3)CC2)cc1.
What is the InChIKey of (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is PIFPMDMOVFVSFP-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24BrN3O4S/c1-15(20(25)22-17-5-3-4-16(21)14-17)23-10-12-24(13-11-23)29(26,27)19-8-6-18(28-2)7-9-19/h3-9,14-15H,10-13H2,1-2H3,(H,22,25)/t15-/m0/s1.
What are the key properties of (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 482.40 g/mol, XLogP of 2.79, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 26295997), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).