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

C23H30N2O4S — CID 30399892

IUPAC4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30N2O4S/c1-17(2)15-21(19-7-5-4-6-8-19)24-23(26)20-10-9-18(3)22(16-20)30(27,28)25-11-13-29-14-12-25/h4-10,16-17,21H,11-15H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyHBHWMOQGULAPTN-OAQYLSRUSA-N
MW430.57 g/mol
LogP3.53
Rot. Bonds7

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

4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide (PubChem CID 30399892) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide.

Molecular Properties

Compound Name4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
PubChem CID30399892
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide
SMILESCc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C23H30N2O4S/c1-17(2)15-21(19-7-5-4-6-8-19)24-23(26)20-10-9-18(3)22(16-20)30(27,28)25-11-13-29-14-12-25/h4-10,16-17,21H,11-15H2,1-3H3,(H,24,26)/t21-/m1/s1
InChIKeyHBHWMOQGULAPTN-OAQYLSRUSA-N
XLogP3.53
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-methyl-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43875754
N-(2,2-diphenylethyl)-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26795823
N-[furan-2-yl(phenyl)methyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 75857678
4-chloro-N-(3-methyl-1-phenylbutyl)-3-piperidin-1-ylsulfonylbenzamide
CID 43876229
4-methyl-N-[(1R)-1-(4-methylphenyl)ethyl]-3-morpholin-4-ylsulfonylbenzamide
CID 93486226
2-chloro-N-(3-methyl-1-phenylbutyl)-5-morpholin-4-ylsulfonylbenzamide
CID 43875346
4-methyl-N-[1-(2-methylphenoxy)propan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 132669528
4-methyl-3-morpholin-4-ylsulfonyl-N-[(2S)-1-oxo-1-(propylamino)propan-2-yl]benzamide
CID 8733202
N-[(1S)-1-(2-methoxyphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26883051
[2-oxo-2-(1-phenylethylamino)ethyl] 4-methyl-3-morpholin-4-ylsulfonylbenzoate
CID 16528946
2-cyclopropyl-2-[(4-methyl-3-morpholin-4-ylsulfonylbenzoyl)amino]acetic acid
CID 119213875
N-[(1S)-1-(2,5-dimethylphenyl)ethyl]-4-methyl-3-morpholin-4-ylsulfonylbenzamide
CID 26172084

Frequently Asked Questions

What is the IUPAC name of 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The IUPAC name of 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide (CID 30399892) is 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide.
What is the SMILES notation for 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The canonical SMILES for 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide is Cc1ccc(C(=O)N[C@H](CC(C)C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
The InChIKey is HBHWMOQGULAPTN-OAQYLSRUSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-17(2)15-21(19-7-5-4-6-8-19)24-23(26)20-10-9-18(3)22(16-20)30(27,28)25-11-13-29-14-12-25/h4-10,16-17,21H,11-15H2,1-3H3,(H,24,26)/t21-/m1/s1.
What are the key properties of 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide?
4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide has a molecular weight of 430.57 g/mol, XLogP of 3.53, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-N-[(1R)-3-methyl-1-phenylbutyl]-3-morpholin-4-ylsulfonylbenzamide is sourced from PubChem (CID 30399892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).