N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide

C21H27N3O4S — CID 84912637

IUPACN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(22-29(26,27)20-10-8-19(28-2)9-11-20)21(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3
InChIKeyAMVWKVRCSQHXIL-UHFFFAOYSA-N
MW417.53 g/mol
LogP1.71
Rot. Bonds7

About N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide

N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide (PubChem CID 84912637) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide.

Molecular Properties

Compound NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
PubChem CID84912637
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC NameN-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide
SMILESCOc1ccc(S(=O)(=O)NC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(22-29(26,27)20-10-8-19(28-2)9-11-20)21(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3
InChIKeyAMVWKVRCSQHXIL-UHFFFAOYSA-N
XLogP1.71
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-oxo-1-[4-[[4-(trifluoromethoxy)phenyl]methyl]piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55938379
N-[2-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]-2-oxo-1-phenylethyl]-4-methoxybenzenesulfonamide
CID 71689976
4-(4-benzylpiperazine-1-carbonyl)-N-butan-2-ylbenzenesulfonamide
CID 55346373
4-methoxy-N-[(2S)-1-[4-[2-(2-methylpiperidin-1-yl)-2-oxoethyl]piperazin-1-yl]-1-oxopropan-2-yl]benzenesulfonamide
CID 55938796
4-chloro-N-[(2R)-1-(4-ethylpiperazin-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 95234190
ethyl 1-[(2R)-2-[(4-methoxyphenyl)sulfonylamino]propanoyl]piperidine-4-carboxylate
CID 124640325
(2S)-2-amino-1-[4-[(4-methoxyphenyl)methyl]piperazin-1-yl]propan-1-one
CID 150931787
(2S)-2-[(4-methoxyphenyl)sulfonylamino]-N-(2-phenylethyl)propanamide
CID 40640573
N-[(2S)-1-(azepan-1-yl)-1-oxopropan-2-yl]benzenesulfonamide
CID 51089554
N-[(2S)-1-oxo-1-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]propan-2-yl]benzenesulfonamide
CID 55935432
N-[3-hydroxy-1-oxo-1-(4-phenylpiperazin-1-yl)propan-2-yl]-4-methoxybenzenesulfonamide
CID 4108774
4-[2-(4-benzylpiperazin-1-yl)-2-oxoethoxy]-N-(2-methylpropyl)benzenesulfonamide
CID 126202811

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The IUPAC name of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide (CID 84912637) is N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide.
What is the SMILES notation for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The canonical SMILES for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide is COc1ccc(S(=O)(=O)NC(C)C(=O)N2CCN(Cc3ccccc3)CC2)cc1.
What is the InChIKey of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
The InChIKey is AMVWKVRCSQHXIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-17(22-29(26,27)20-10-8-19(28-2)9-11-20)21(25)24-14-12-23(13-15-24)16-18-6-4-3-5-7-18/h3-11,17,22H,12-16H2,1-2H3.
What are the key properties of N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide?
N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide has a molecular weight of 417.53 g/mol, XLogP of 1.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-benzylpiperazin-1-yl)-1-oxopropan-2-yl]-4-methoxybenzenesulfonamide is sourced from PubChem (CID 84912637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).