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

C21H27N3O4S — CID 2471637

IUPAC(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(21(25)22-16-18-6-4-3-5-7-18)23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeySCQKWFZIUZJSBM-KRWDZBQOSA-N
MW417.53 g/mol
LogP1.71
Rot. Bonds7

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

(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 2471637) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID2471637
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1
InChIInChI=1S/C21H27N3O4S/c1-17(21(25)22-16-18-6-4-3-5-7-18)23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m0/s1
InChIKeySCQKWFZIUZJSBM-KRWDZBQOSA-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-[(4-methoxyphenyl)methyl]-2-(4-naphthalen-2-ylsulfonylpiperazin-1-yl)propanamide
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(2R)-N-[(4-methoxyphenyl)methyl]-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 26709367
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-propylpropanamide
CID 9493027
(2R)-N-[(4-methoxyphenyl)methyl]-2-(4-phenylpiperazin-1-yl)propanamide
CID 40680683
1-(4-methoxyphenyl)sulfonyl-4-[(2R)-4-phenylbutan-2-yl]piperazine
CID 1151854
1-(4-methoxyphenyl)sulfonyl-4-[(2S)-4-phenylbutan-2-yl]piperazine
CID 1151852
(2R)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 40819018
(2R)-N-[2-[(2R)-butan-2-yl]phenyl]-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 41168914
2-(azepan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 42997740
(2R)-2-(azocan-1-yl)-N-[(4-methoxyphenyl)methyl]propanamide
CID 2539196
N-(1-adamantyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 17499638
(3R)-N-[(2R)-1-(benzylamino)-1-oxopropan-2-yl]-1-(4-methoxyphenyl)sulfonylpiperidine-3-carboxamide
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Frequently Asked Questions

What is the IUPAC name of (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide (CID 2471637) is (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is COc1ccc(S(=O)(=O)N2CCN([C@@H](C)C(=O)NCc3ccccc3)CC2)cc1.
What is the InChIKey of (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is SCQKWFZIUZJSBM-KRWDZBQOSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-17(21(25)22-16-18-6-4-3-5-7-18)23-12-14-24(15-13-23)29(26,27)20-10-8-19(28-2)9-11-20/h3-11,17H,12-16H2,1-2H3,(H,22,25)/t17-/m0/s1.
What are the key properties of (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide 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 (2S)-N-benzyl-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 2471637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).