N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

C26H29N3O3S — CID 41183490

IUPACN-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-11-13-22(14-12-20)25(21-7-4-3-5-8-21)27-26(30)23-9-6-10-24(19-23)33(31,32)29-17-15-28(2)16-18-29/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyJAPKGJSCHFLMFI-RUZDIDTESA-N
MW463.60 g/mol
LogP3.45
Rot. Bonds6

About N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide

N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (PubChem CID 41183490) has the molecular formula C26H29N3O3S and a molecular weight of 463.60 g/mol. Its IUPAC name is N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.

Molecular Properties

Compound NameN-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
PubChem CID41183490
Molecular FormulaC26H29N3O3S
Molecular Weight463.60 g/mol
Exact Mass463.19
IUPAC NameN-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
SMILESCc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc2)cc1
InChIInChI=1S/C26H29N3O3S/c1-20-11-13-22(14-12-20)25(21-7-4-3-5-8-21)27-26(30)23-9-6-10-24(19-23)33(31,32)29-17-15-28(2)16-18-29/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)/t25-/m1/s1
InChIKeyJAPKGJSCHFLMFI-RUZDIDTESA-N
XLogP3.45
TPSA69.72 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.60
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
N-benzhydryl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 2420116
1-(3-acetylphenyl)sulfonyl-N-[(R)-(4-methylphenyl)-phenylmethyl]piperidine-4-carboxamide
CID 40897728
N-[(R)-cyclopropyl-(4-methylphenyl)methyl]-3-(4-phenylpiperazin-1-yl)sulfonylbenzamide
CID 41015961
N-[1-(4-ethylphenyl)ethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133235280
N-[(1S)-1-(4-fluorophenyl)-2-methylpropyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 39968266
4-[[4-(benzenesulfonyl)piperazin-1-yl]methyl]-N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 99941907
3-(4-methylpiperazin-1-yl)sulfonyl-N-[1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 53278181
3-(azepan-1-ylsulfonyl)-N-[(1R)-1-(4-methylphenyl)propyl]benzamide
CID 99131768
N-[(S)-(4-methylphenyl)-phenylmethyl]benzamide
CID 8798062
N-[1-(4-methoxy-3-methylphenyl)propyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 133159976
3-morpholin-4-ylsulfonyl-N-(1-phenylethyl)benzamide
CID 4541490

Frequently Asked Questions

What is the IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The IUPAC name of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide (CID 41183490) is N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide.
What is the SMILES notation for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The canonical SMILES for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is Cc1ccc([C@H](NC(=O)c2cccc(S(=O)(=O)N3CCN(C)CC3)c2)c2ccccc2)cc1.
What is the InChIKey of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
The InChIKey is JAPKGJSCHFLMFI-RUZDIDTESA-N. The full InChI is InChI=1S/C26H29N3O3S/c1-20-11-13-22(14-12-20)25(21-7-4-3-5-8-21)27-26(30)23-9-6-10-24(19-23)33(31,32)29-17-15-28(2)16-18-29/h3-14,19,25H,15-18H2,1-2H3,(H,27,30)/t25-/m1/s1.
What are the key properties of N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide?
N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide has a molecular weight of 463.60 g/mol, XLogP of 3.45, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(R)-(4-methylphenyl)-phenylmethyl]-3-(4-methylpiperazin-1-yl)sulfonylbenzamide is sourced from PubChem (CID 41183490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).