(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide

C21H27N3O4S — CID 8742773

IUPAC(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-7-9-20(10-8-16)29(26,27)24-13-11-23(12-14-24)17(2)21(25)22-18-5-4-6-19(15-18)28-3/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyITDJPUHKEDYPJP-QGZVFWFLSA-N
MW417.53 g/mol
LogP2.34
Rot. Bonds6

About (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide

(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 8742773) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID8742773
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCOc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1
InChIInChI=1S/C21H27N3O4S/c1-16-7-9-20(10-8-16)29(26,27)24-13-11-23(12-14-24)17(2)21(25)22-18-5-4-6-19(15-18)28-3/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/t17-/m1/s1
InChIKeyITDJPUHKEDYPJP-QGZVFWFLSA-N
XLogP2.34
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(3-bromophenyl)-2-[4-(4-methoxyphenyl)sulfonylpiperazin-1-yl]propanamide
CID 26295997
N-(3-cyanophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 4969649
(2R)-N-(3-fluorophenyl)-2-[4-(4-fluorophenyl)sulfonylpiperazin-1-yl]propanamide
CID 9493165
(2R)-N-(4-acetamidophenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 2473966
2-[4-(benzenesulfonyl)piperazin-1-yl]-N-(3-methoxyphenyl)-2-phenylacetamide
CID 4796543
2-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-N-(4-methoxyphenyl)propanamide
CID 46630712
(2R)-2-[4-(2-chlorophenyl)piperazin-1-yl]-N-(3-methoxyphenyl)propanamide
CID 8704511
2-[4-(3,4-dimethylphenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 55351317
N-(3-methoxyphenyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17453491
(2S)-N-(1,3-benzodioxol-5-yl)-2-[4-(4-methylphenyl)sulfonyl-1,4-diazepan-1-yl]propanamide
CID 41155429
4-(benzenesulfonyl)-N-(3-methoxyphenyl)piperazine-1-carboxamide
CID 51515803
methyl 1-[(2S)-1-(3-methoxyanilino)-1-oxopropan-2-yl]piperidine-4-carboxylate
CID 8741714

Frequently Asked Questions

What is the IUPAC name of (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 8742773) is (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide is COc1cccc(NC(=O)[C@@H](C)N2CCN(S(=O)(=O)c3ccc(C)cc3)CC2)c1.
What is the InChIKey of (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is ITDJPUHKEDYPJP-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16-7-9-20(10-8-16)29(26,27)24-13-11-23(12-14-24)17(2)21(25)22-18-5-4-6-19(15-18)28-3/h4-10,15,17H,11-14H2,1-3H3,(H,22,25)/t17-/m1/s1.
What are the key properties of (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide?
(2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 417.53 g/mol, XLogP of 2.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-(3-methoxyphenyl)-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8742773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).