N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

C21H26N2O4S — CID 38000089

IUPACN-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-3-7-19(8-4-16)17(2)22-21(24)20-9-5-18(6-10-20)15-28(25,26)23-11-13-27-14-12-23/h3-10,17H,11-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyYFQWJQJCZGWZHV-QGZVFWFLSA-N
MW402.52 g/mol
LogP2.65
Rot. Bonds6

About N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide

N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (PubChem CID 38000089) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.

Molecular Properties

Compound NameN-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
PubChem CID38000089
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC NameN-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
SMILESCc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1
InChIInChI=1S/C21H26N2O4S/c1-16-3-7-19(8-4-16)17(2)22-21(24)20-9-5-18(6-10-20)15-28(25,26)23-11-13-27-14-12-23/h3-10,17H,11-15H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyYFQWJQJCZGWZHV-QGZVFWFLSA-N
XLogP2.65
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1R)-1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 99969605
N-[1-(4-methylphenyl)ethyl]-4-[(4-methylpiperazin-1-yl)sulfonylmethyl]benzamide
CID 132664899
4-[(4-methylpiperazin-1-yl)sulfonylmethyl]-N-[(1R)-1-(4-pyrrolidin-1-ylphenyl)ethyl]benzamide
CID 97267629
N-[(1R)-1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 93487370
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
N-[1-(4-methoxyphenyl)ethyl]-4-(piperidin-1-ylsulfonylmethyl)benzamide
CID 43909251
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(5-morpholin-4-ylsulfonylthiophen-2-yl)benzamide
CID 95082109
N-[(1S)-1-(4-methoxyphenyl)-3-methylbutyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide
CID 94019166
N-[1-(4-methylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 43916032
4-(piperidin-1-ylsulfonylmethyl)-N-propan-2-ylbenzamide
CID 53286074
N-[(1R)-1-(4-ethylphenyl)ethyl]-1-[(4-methylphenyl)methylsulfonyl]piperidine-4-carboxamide
CID 100693033
N-[(1R)-1-(4-ethylphenyl)ethyl]-4-methylbenzamide
CID 51857347

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The IUPAC name of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide (CID 38000089) is N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide.
What is the SMILES notation for N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The canonical SMILES for N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is Cc1ccc([C@@H](C)NC(=O)c2ccc(CS(=O)(=O)N3CCOCC3)cc2)cc1.
What is the InChIKey of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
The InChIKey is YFQWJQJCZGWZHV-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-3-7-19(8-4-16)17(2)22-21(24)20-9-5-18(6-10-20)15-28(25,26)23-11-13-27-14-12-23/h3-10,17H,11-15H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide?
N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide has a molecular weight of 402.52 g/mol, XLogP of 2.65, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(4-methylphenyl)ethyl]-4-(morpholin-4-ylsulfonylmethyl)benzamide is sourced from PubChem (CID 38000089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).