N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide

C26H33N3O5S — CID 55936617

IUPACN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C26H33N3O5S/c1-18(27-24(31)20-9-11-22(12-10-20)26(3,4)5)25(32)28-13-15-29(16-14-28)35(33,34)23-8-6-7-21(17-23)19(2)30/h6-12,17-18H,13-16H2,1-5H3,(H,27,31)/t18-/m0/s1
InChIKeyWIEYDTBIHUCHRV-SFHVURJKSA-N
MW499.63 g/mol
LogP2.84
Rot. Bonds6

About N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide

N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide (PubChem CID 55936617) has the molecular formula C26H33N3O5S and a molecular weight of 499.63 g/mol. Its IUPAC name is N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide.

Molecular Properties

Compound NameN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
PubChem CID55936617
Molecular FormulaC26H33N3O5S
Molecular Weight499.63 g/mol
Exact Mass499.21
IUPAC NameN-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide
SMILESCC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1
InChIInChI=1S/C26H33N3O5S/c1-18(27-24(31)20-9-11-22(12-10-20)26(3,4)5)25(32)28-13-15-29(16-14-28)35(33,34)23-8-6-7-21(17-23)19(2)30/h6-12,17-18H,13-16H2,1-5H3,(H,27,31)/t18-/m0/s1
InChIKeyWIEYDTBIHUCHRV-SFHVURJKSA-N
XLogP2.84
TPSA103.86 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500499.63
LogP ≤ 52.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-nitrobenzamide
CID 34426748
N-[(2S)-1-[4-(benzenesulfonyl)piperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 55943815
N-[1-(1,1-dioxo-1,4-thiazinan-4-yl)-1-oxopropan-2-yl]-3-pyrrolidin-1-ylsulfonylbenzamide
CID 56533470
1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-2-ethylbutan-1-one
CID 110818095
3-(4-acetylpiperazin-1-yl)sulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733751
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]furan-2-carboxamide
CID 33263713
N-[(2R)-1-[4-(4-bromophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-3-methylbenzamide
CID 26007115
1-[4-(3-acetylphenyl)sulfonyl-1,4-diazepan-1-yl]-2,2-dimethylpropan-1-one
CID 110797800
N-[(2R)-1-[4-(2,5-dichlorophenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]benzamide
CID 38168403
N-[1-[4-(3-chlorophenyl)sulfonylpiperazin-1-yl]-3-methyl-1-oxobutan-2-yl]benzamide
CID 55341503
N-[1-oxo-1-[4-[(2-oxo-3H-1,3-benzothiazol-6-yl)sulfonyl]piperazin-1-yl]propan-2-yl]benzamide
CID 53112680
N-[3-(azepan-1-ylsulfonyl)phenyl]-4-tert-butylbenzamide
CID 7929786

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The IUPAC name of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide (CID 55936617) is N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide.
What is the SMILES notation for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The canonical SMILES for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide is CC(=O)c1cccc(S(=O)(=O)N2CCN(C(=O)[C@H](C)NC(=O)c3ccc(C(C)(C)C)cc3)CC2)c1.
What is the InChIKey of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
The InChIKey is WIEYDTBIHUCHRV-SFHVURJKSA-N. The full InChI is InChI=1S/C26H33N3O5S/c1-18(27-24(31)20-9-11-22(12-10-20)26(3,4)5)25(32)28-13-15-29(16-14-28)35(33,34)23-8-6-7-21(17-23)19(2)30/h6-12,17-18H,13-16H2,1-5H3,(H,27,31)/t18-/m0/s1.
What are the key properties of N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide?
N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide has a molecular weight of 499.63 g/mol, XLogP of 2.84, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[4-(3-acetylphenyl)sulfonylpiperazin-1-yl]-1-oxopropan-2-yl]-4-tert-butylbenzamide is sourced from PubChem (CID 55936617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).