3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide

C23H30N2O4S — CID 60596872

IUPAC3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,21-10-4-3-5-11-21)16-22(26)24-17-19-8-6-7-9-20(19)18-30(27,28)25-12-14-29-15-13-25/h3-11H,12-18H2,1-2H3,(H,24,26)
InChIKeyHHPDBCMIPWBWDK-UHFFFAOYSA-N
MW430.57 g/mol
LogP2.83
Rot. Bonds8

About 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide

3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide (PubChem CID 60596872) has the molecular formula C23H30N2O4S and a molecular weight of 430.57 g/mol. Its IUPAC name is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide.

Molecular Properties

Compound Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
PubChem CID60596872
Molecular FormulaC23H30N2O4S
Molecular Weight430.57 g/mol
Exact Mass430.19
IUPAC Name3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide
SMILESCC(C)(CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1
InChIInChI=1S/C23H30N2O4S/c1-23(2,21-10-4-3-5-11-21)16-22(26)24-17-19-8-6-7-9-20(19)18-30(27,28)25-12-14-29-15-13-25/h3-11H,12-18H2,1-2H3,(H,24,26)
InChIKeyHHPDBCMIPWBWDK-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.57
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]acetamide;hydrochloride
CID 119697573
(2R)-2-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119275554
2-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 24541772
2-methyl-3-(methylamino)-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]propanamide
CID 119697580
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopropane-1-carboxamide;hydrochloride
CID 119697559
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]piperidine-4-carboxamide
CID 119275548
1-amino-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]cyclopentane-1-carboxamide
CID 119275552
2,6-dichloro-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 112803399
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]furan-2-carboxamide
CID 17408204
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]benzamide
CID 17409313
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-2-pyrrolidin-2-ylacetamide
CID 119697590
N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]pyrrolidine-2-carboxamide
CID 119275550

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide?
The IUPAC name of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide (CID 60596872) is 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide.
What is the SMILES notation for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide?
The canonical SMILES for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide is CC(C)(CC(=O)NCc1ccccc1CS(=O)(=O)N1CCOCC1)c1ccccc1.
What is the InChIKey of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide?
The InChIKey is HHPDBCMIPWBWDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N2O4S/c1-23(2,21-10-4-3-5-11-21)16-22(26)24-17-19-8-6-7-9-20(19)18-30(27,28)25-12-14-29-15-13-25/h3-11H,12-18H2,1-2H3,(H,24,26).
What are the key properties of 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide?
3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide has a molecular weight of 430.57 g/mol, XLogP of 2.83, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[[2-(morpholin-4-ylsulfonylmethyl)phenyl]methyl]-3-phenylbutanamide is sourced from PubChem (CID 60596872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).