2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide

C16H24N2O4S — CID 18148823

IUPAC2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13(2)16(19)17-12-14-4-6-15(7-5-14)23(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyLSPKURGOACRQGA-UHFFFAOYSA-N
MW340.45 g/mol
LogP1.37
Rot. Bonds6

About 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide

2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide (PubChem CID 18148823) has the molecular formula C16H24N2O4S and a molecular weight of 340.45 g/mol. Its IUPAC name is 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide.

Molecular Properties

Compound Name2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
PubChem CID18148823
Molecular FormulaC16H24N2O4S
Molecular Weight340.45 g/mol
Exact Mass340.15
IUPAC Name2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide
SMILESCCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1
InChIInChI=1S/C16H24N2O4S/c1-3-13(2)16(19)17-12-14-4-6-15(7-5-14)23(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19)
InChIKeyLSPKURGOACRQGA-UHFFFAOYSA-N
XLogP1.37
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.45
LogP ≤ 51.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-3-(methylamino)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 119690147
(2R)-2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119271587
(2S)-2-amino-4-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pentanamide;hydrochloride
CID 119690168
(2R)-2-methyl-N-(4-morpholin-4-ylsulfonylphenyl)butanamide
CID 697456
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-N'-propan-2-yloxamide
CID 30126407
(2S)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylpentanamide
CID 41198913
2-amino-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]-2-phenylacetamide
CID 119271586
2-methyl-3-(methylamino)-N-[(4-pyrrolidin-1-ylsulfonylphenyl)methyl]propanamide;hydrochloride
CID 119735907
1-[[4-(methylsulfonylmethyl)phenyl]methyl]-3-[(4-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 55909489
(Z)-2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]pent-2-enamide
CID 49016183
N-[(4-morpholin-4-ylsulfonylphenyl)methyl]cyclopropanecarboxamide
CID 17436529
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]propanamide
CID 43875203

Frequently Asked Questions

What is the IUPAC name of 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The IUPAC name of 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide (CID 18148823) is 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide.
What is the SMILES notation for 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The canonical SMILES for 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide is CCC(C)C(=O)NCc1ccc(S(=O)(=O)N2CCOCC2)cc1.
What is the InChIKey of 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
The InChIKey is LSPKURGOACRQGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O4S/c1-3-13(2)16(19)17-12-14-4-6-15(7-5-14)23(20,21)18-8-10-22-11-9-18/h4-7,13H,3,8-12H2,1-2H3,(H,17,19).
What are the key properties of 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide?
2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide has a molecular weight of 340.45 g/mol, XLogP of 1.37, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-N-[(4-morpholin-4-ylsulfonylphenyl)methyl]butanamide is sourced from PubChem (CID 18148823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).