(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

C23H31N3O3S — CID 8512610

IUPAC(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-13-11-25(12-14-26)20(4)23(27)24(5)21-9-7-6-8-10-21/h6-10,15-16,20H,11-14H2,1-5H3/t20-/m0/s1
InChIKeyFBPZIPSMHQFHHV-FQEVSTJZSA-N
MW429.59 g/mol
LogP2.97
Rot. Bonds5

About (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide

(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide (PubChem CID 8512610) has the molecular formula C23H31N3O3S and a molecular weight of 429.59 g/mol. Its IUPAC name is (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide.

Molecular Properties

Compound Name(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
PubChem CID8512610
Molecular FormulaC23H31N3O3S
Molecular Weight429.59 g/mol
Exact Mass429.21
IUPAC Name(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
SMILESCc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1
InChIInChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-13-11-25(12-14-26)20(4)23(27)24(5)21-9-7-6-8-10-21/h6-10,15-16,20H,11-14H2,1-5H3/t20-/m0/s1
InChIKeyFBPZIPSMHQFHHV-FQEVSTJZSA-N
XLogP2.97
TPSA60.93 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.59
LogP ≤ 52.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 42887079
N-methyl-N-(4-methylphenyl)-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 991663
(2S)-N-(2-phenylphenyl)-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 97067590
N,N-dimethyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine-1-carboxamide
CID 971390
2-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]acetonitrile
CID 112799265
(3R)-3-phenyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 7921552
(2S)-2-[4-(4-tert-butyl-2,6-dimethylphenyl)sulfonylpiperazin-1-yl]propanamide
CID 9398785
1-(2-chlorophenyl)sulfonyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazine
CID 26945213
2-phenoxy-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]ethanone
CID 71904260
(2S)-2-methyl-1-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]butan-1-one
CID 30288288
[(2R)-2,3-dihydro-1-benzofuran-2-yl]-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]methanone
CID 9086267
(2R)-N-ethyl-2-[4-(2-fluorophenyl)sulfonylpiperazin-1-yl]-N-phenylpropanamide
CID 8690029

Frequently Asked Questions

What is the IUPAC name of (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The IUPAC name of (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide (CID 8512610) is (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide.
What is the SMILES notation for (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The canonical SMILES for (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide is Cc1cc(C)c(S(=O)(=O)N2CCN([C@@H](C)C(=O)N(C)c3ccccc3)CC2)c(C)c1.
What is the InChIKey of (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
The InChIKey is FBPZIPSMHQFHHV-FQEVSTJZSA-N. The full InChI is InChI=1S/C23H31N3O3S/c1-17-15-18(2)22(19(3)16-17)30(28,29)26-13-11-25(12-14-26)20(4)23(27)24(5)21-9-7-6-8-10-21/h6-10,15-16,20H,11-14H2,1-5H3/t20-/m0/s1.
What are the key properties of (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide?
(2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide has a molecular weight of 429.59 g/mol, XLogP of 2.97, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-methyl-N-phenyl-2-[4-(2,4,6-trimethylphenyl)sulfonylpiperazin-1-yl]propanamide is sourced from PubChem (CID 8512610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).