N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide

C17H25N3O4S — CID 70730888

IUPACN-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)16-11-20(12-17(16)18-14(2)21)25(22,23)19-7-9-24-10-8-19/h3-6,16-17H,7-12H2,1-2H3,(H,18,21)/t16-,17+/m0/s1
InChIKeyVULXMPUAWIUSDZ-DLBZAZTESA-N
MW367.47 g/mol
LogP0.48
Rot. Bonds4

About N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide

N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide (PubChem CID 70730888) has the molecular formula C17H25N3O4S and a molecular weight of 367.47 g/mol. Its IUPAC name is N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide.

Molecular Properties

Compound NameN-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide
PubChem CID70730888
Molecular FormulaC17H25N3O4S
Molecular Weight367.47 g/mol
Exact Mass367.16
IUPAC NameN-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide
SMILESCC(=O)N[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccc(C)cc1
InChIInChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)16-11-20(12-17(16)18-14(2)21)25(22,23)19-7-9-24-10-8-19/h3-6,16-17H,7-12H2,1-2H3,(H,18,21)/t16-,17+/m0/s1
InChIKeyVULXMPUAWIUSDZ-DLBZAZTESA-N
XLogP0.48
TPSA78.95 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 50.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(3S,4R)-1-(1-ethylpyrazol-4-yl)sulfonyl-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70755633
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-phenylsulfanylethyl)pyrrolidin-3-yl]acetamide
CID 72894365
2-[(3S,4R)-3-acetamido-4-(4-methylphenyl)pyrrolidin-1-yl]-6-methylpyridine-3-carboxylic acid
CID 70772022
(3S,4R)-3-acetamido-N-cyclohexyl-4-(4-methylphenyl)pyrrolidine-1-carboxamide
CID 70753721
N-[(3S,4R)-1-(5,6-dimethylpyrimidin-4-yl)-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70746461
N-[(3S,4R)-4-(4-methylphenyl)-1-(oxane-4-carbonyl)pyrrolidin-3-yl]cyclopropanecarboxamide
CID 70751647
N-[(3S,4R)-1-[2-(3-methyl-1,2-oxazol-5-yl)acetyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70735467
N-[1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 78086979
N-[(3S,4R)-1-[2-(difluoromethyl)pyrazole-3-carbonyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70771739
N-[(3S,4R)-4-(4-methylphenyl)-1-(2-pyridin-2-ylsulfanylacetyl)pyrrolidin-3-yl]acetamide
CID 70739524
N-[(3R,4S)-4-(4-methylphenyl)-1-(pyridin-3-ylmethyl)pyrrolidin-3-yl]acetamide
CID 164638014
N-[(3S,4R)-1-[3-(3,5-dimethyl-1,2-oxazol-4-yl)propanoyl]-4-(4-methylphenyl)pyrrolidin-3-yl]acetamide
CID 70776145

Frequently Asked Questions

What is the IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide?
The IUPAC name of N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide (CID 70730888) is N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide.
What is the SMILES notation for N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide?
The canonical SMILES for N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide is CC(=O)N[C@@H]1CN(S(=O)(=O)N2CCOCC2)C[C@H]1c1ccc(C)cc1.
What is the InChIKey of N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide?
The InChIKey is VULXMPUAWIUSDZ-DLBZAZTESA-N. The full InChI is InChI=1S/C17H25N3O4S/c1-13-3-5-15(6-4-13)16-11-20(12-17(16)18-14(2)21)25(22,23)19-7-9-24-10-8-19/h3-6,16-17H,7-12H2,1-2H3,(H,18,21)/t16-,17+/m0/s1.
What are the key properties of N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide?
N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide has a molecular weight of 367.47 g/mol, XLogP of 0.48, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3S,4R)-4-(4-methylphenyl)-1-morpholin-4-ylsulfonylpyrrolidin-3-yl]acetamide is sourced from PubChem (CID 70730888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).