2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

C21H27N3O4S — CID 132665450

IUPAC2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-16(17-7-5-4-6-8-17)22-21(25)19-15-18(9-10-20(19)28-3)29(26,27)24-13-11-23(2)12-14-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyVGNOIBYKGJROQI-UHFFFAOYSA-N
MW417.53 g/mol
LogP2.12
Rot. Bonds6

About 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide

2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (PubChem CID 132665450) has the molecular formula C21H27N3O4S and a molecular weight of 417.53 g/mol. Its IUPAC name is 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.

Molecular Properties

Compound Name2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
PubChem CID132665450
Molecular FormulaC21H27N3O4S
Molecular Weight417.53 g/mol
Exact Mass417.17
IUPAC Name2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide
SMILESCOc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)c1ccccc1
InChIInChI=1S/C21H27N3O4S/c1-16(17-7-5-4-6-8-17)22-21(25)19-15-18(9-10-20(19)28-3)29(26,27)24-13-11-23(2)12-14-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25)
InChIKeyVGNOIBYKGJROQI-UHFFFAOYSA-N
XLogP2.12
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.53
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671765
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-(4-methoxyphenyl)ethyl]benzamide
CID 92671764
2-methoxy-N-[(1S)-1-(4-methoxyphenyl)ethyl]-5-morpholin-4-ylsulfonylbenzamide
CID 28631613
3-(4-methylpiperazin-1-yl)sulfonyl-N-[(1R)-1-phenylethyl]benzamide
CID 51555310
2-methoxy-N-[(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 43908141
2-methoxy-N-[(R)-(4-methylphenyl)-phenylmethyl]-5-pyrrolidin-1-ylsulfonylbenzamide
CID 93486304
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methoxy-5-(4-methylpiperidin-1-yl)sulfonylbenzamide
CID 94012776
5-(azepan-1-ylsulfonyl)-2-methoxy-N-[(1R)-1-phenylpropyl]benzamide
CID 92672265
2-chloro-N-[(1S)-1-phenylethyl]-5-piperidin-1-ylsulfonylbenzamide
CID 51421106
(2R)-2-[[5-(azepan-1-ylsulfonyl)-2-methoxybenzoyl]amino]propanoic acid
CID 119244112
2-chloro-N-[(1R)-1-(3,4-dimethylphenyl)ethyl]-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969458
N-[(1S)-1-(4-fluorophenyl)ethyl]-2-methyl-5-(4-methylpiperazin-1-yl)sulfonylbenzamide
CID 99969032

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The IUPAC name of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide (CID 132665450) is 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide.
What is the SMILES notation for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The canonical SMILES for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is COc1ccc(S(=O)(=O)N2CCN(C)CC2)cc1C(=O)NC(C)c1ccccc1.
What is the InChIKey of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
The InChIKey is VGNOIBYKGJROQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N3O4S/c1-16(17-7-5-4-6-8-17)22-21(25)19-15-18(9-10-20(19)28-3)29(26,27)24-13-11-23(2)12-14-24/h4-10,15-16H,11-14H2,1-3H3,(H,22,25).
What are the key properties of 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide?
2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide has a molecular weight of 417.53 g/mol, XLogP of 2.12, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-5-(4-methylpiperazin-1-yl)sulfonyl-N-(1-phenylethyl)benzamide is sourced from PubChem (CID 132665450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).