3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

C20H25N3O3S — CID 51555310

IUPAC3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-16(17-7-4-3-5-8-17)21-20(24)18-9-6-10-19(15-18)27(25,26)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyFJXFGVAEOHRYSC-MRXNPFEDSA-N
MW387.51 g/mol
LogP2.11
Rot. Bonds5

About 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide

3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (PubChem CID 51555310) has the molecular formula C20H25N3O3S and a molecular weight of 387.51 g/mol. Its IUPAC name is 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.

Molecular Properties

Compound Name3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
PubChem CID51555310
Molecular FormulaC20H25N3O3S
Molecular Weight387.51 g/mol
Exact Mass387.16
IUPAC Name3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
SMILESC[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1
InChIInChI=1S/C20H25N3O3S/c1-16(17-7-4-3-5-8-17)21-20(24)18-9-6-10-19(15-18)27(25,26)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)/t16-/m1/s1
InChIKeyFJXFGVAEOHRYSC-MRXNPFEDSA-N
XLogP2.11
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.51
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(4-ethylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133235280
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490
3-(4-methylpiperazin-1-yl)sulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 53278181
3-(4-methylpiperidin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 109063452
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 41183490
3-[(3R,5R)-3,5-dimethylpiperidin-1-yl]sulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 40896968
3-(1,4-diazepan-1-ylsulfonyl)-N-[(1S)-1-phenylethyl]benzamide
CID 97201245
4-chloro-3-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
CID 132666739
N-[1-(2,4-difluorophenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 55336980
3-(4-benzylpiperazin-1-yl)sulfonyl-N-[(1S)-1-(4-bromophenyl)ethyl]benzamide
CID 93472982
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266

Frequently Asked Questions

What is the IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The IUPAC name of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide (CID 51555310) is 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide.
What is the SMILES notation for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The canonical SMILES for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is C[C@@H](NC(=O)c1cccc(S(=O)(=O)N2CCN(C)CC2)c1)c1ccccc1.
What is the InChIKey of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
The InChIKey is FJXFGVAEOHRYSC-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H25N3O3S/c1-16(17-7-4-3-5-8-17)21-20(24)18-9-6-10-19(15-18)27(25,26)23-13-11-22(2)12-14-23/h3-10,15-16H,11-14H2,1-2H3,(H,21,24)/t16-/m1/s1.
What are the key properties of 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide?
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide has a molecular weight of 387.51 g/mol, XLogP of 2.11, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide is sourced from PubChem (CID 51555310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).