4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

C21H26N2O4S — CID 93486226

IUPAC4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-7-18(8-5-15)17(3)22-21(24)19-9-6-16(2)20(14-19)28(25,26)23-10-12-27-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyZIZBXOYPGZGXMM-QGZVFWFLSA-N
MW402.52 g/mol
LogP2.82
Rot. Bonds5

About 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide

4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 93486226) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID93486226
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1
InChIInChI=1S/C21H26N2O4S/c1-15-4-7-18(8-5-15)17(3)22-21(24)19-9-6-16(2)20(14-19)28(25,26)23-10-12-27-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)/t17-/m1/s1
InChIKeyZIZBXOYPGZGXMM-QGZVFWFLSA-N
XLogP2.82
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084
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N-[(1R)-1-(4-imidazol-1-ylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 25350523
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
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N-[1-(4-ethylphenyl)ethyl]-4-methyl-3-pyrrolidin-1-ylsulfonylbenzamide
CID 133166385
4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
CID 30399892
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
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N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
4-methoxy-3-morpholin-4-ylsulfonyl-N-[(1S)-1-phenylethyl]benzamide
CID 8712994
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
N-[2-chloro-5-(propan-2-ylcarbamoyl)phenyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 55895692
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide (CID 93486226) is 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(C)c(S(=O)(=O)N3CCOCC3)c2)cc1.
What is the InChIKey of 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is ZIZBXOYPGZGXMM-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-15-4-7-18(8-5-15)17(3)22-21(24)19-9-6-16(2)20(14-19)28(25,26)23-10-12-27-13-11-23/h4-9,14,17H,10-13H2,1-3H3,(H,22,24)/t17-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 402.52 g/mol, XLogP of 2.82, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 93486226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).