N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide

C23H27N3O6S — CID 51858156

IUPACN-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O6S/c1-16-8-10-18(11-9-16)33(30,31)22(23(29)26-14-12-25(13-15-26)17(2)27)24-21(28)19-6-4-5-7-20(19)32-3/h4-11,22H,12-15H2,1-3H3,(H,24,28)/t22-/m0/s1
InChIKeySLSKXJPZBDIXAV-QFIPXVFZSA-N
MW473.55 g/mol
LogP1.22
Rot. Bonds6

About N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide

N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide (PubChem CID 51858156) has the molecular formula C23H27N3O6S and a molecular weight of 473.55 g/mol. Its IUPAC name is N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide.

Molecular Properties

Compound NameN-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide
PubChem CID51858156
Molecular FormulaC23H27N3O6S
Molecular Weight473.55 g/mol
Exact Mass473.16
IUPAC NameN-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide
SMILESCOc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(C)cc1
InChIInChI=1S/C23H27N3O6S/c1-16-8-10-18(11-9-16)33(30,31)22(23(29)26-14-12-25(13-15-26)17(2)27)24-21(28)19-6-4-5-7-20(19)32-3/h4-11,22H,12-15H2,1-3H3,(H,24,28)/t22-/m0/s1
InChIKeySLSKXJPZBDIXAV-QFIPXVFZSA-N
XLogP1.22
TPSA113.09 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.55
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-4-chlorobenzamide
CID 41201724
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methoxybenzoyl)piperazin-1-yl]-2-oxoethyl]thiophene-2-carboxamide
CID 98173415
N-[(1R)-2-(4-acetylpiperazin-1-yl)-1-(4-fluorophenyl)sulfonyl-2-oxoethyl]-3-methylbenzamide
CID 51858094
N-[(1R)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 42558371
N-[(1S)-1-(benzenesulfonyl)-2-(4-butanoylpiperazin-1-yl)-2-oxoethyl]-2-methylbenzamide
CID 41201701
N-[(1S)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methylbenzamide
CID 51858051
N-[(1S)-1-(benzenesulfonyl)-2-oxo-2-(4-propanoylpiperazin-1-yl)ethyl]-4-methoxybenzamide
CID 51858042
N-[(1R)-2-[4-(4-chlorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]furan-2-carboxamide
CID 98173533
N-[(1S)-2-[4-(4-fluorobenzoyl)piperazin-1-yl]-1-(4-methylphenyl)sulfonyl-2-oxoethyl]thiophene-2-carboxamide
CID 98173582
2-methoxy-N-[1-(4-methylphenyl)ethyl]benzamide
CID 43876733
N-[(1S)-1-(benzenesulfonyl)-2-[4-(2-methylbenzoyl)piperazin-1-yl]-2-oxoethyl]furan-2-carboxamide
CID 42558379
N-[(1R)-1-(benzenesulfonyl)-2-[4-(furan-2-carbonyl)piperazin-1-yl]-2-oxoethyl]-4-methoxybenzamide
CID 51858044

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide?
The IUPAC name of N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide (CID 51858156) is N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide.
What is the SMILES notation for N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide?
The canonical SMILES for N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide is COc1ccccc1C(=O)N[C@H](C(=O)N1CCN(C(C)=O)CC1)S(=O)(=O)c1ccc(C)cc1.
What is the InChIKey of N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide?
The InChIKey is SLSKXJPZBDIXAV-QFIPXVFZSA-N. The full InChI is InChI=1S/C23H27N3O6S/c1-16-8-10-18(11-9-16)33(30,31)22(23(29)26-14-12-25(13-15-26)17(2)27)24-21(28)19-6-4-5-7-20(19)32-3/h4-11,22H,12-15H2,1-3H3,(H,24,28)/t22-/m0/s1.
What are the key properties of N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide?
N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide has a molecular weight of 473.55 g/mol, XLogP of 1.22, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-2-(4-acetylpiperazin-1-yl)-1-(4-methylphenyl)sulfonyl-2-oxoethyl]-2-methoxybenzamide is sourced from PubChem (CID 51858156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).