(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

C18H27N3O5S — CID 9243660

IUPAC(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)C
InChIInChI=1S/C18H27N3O5S/c1-12(2)17(19-14(4)22)18(23)20-15-6-5-13(3)16(11-15)27(24,25)21-7-9-26-10-8-21/h5-6,11-12,17H,7-10H2,1-4H3,(H,19,22)(H,20,23)/t17-/m1/s1
InChIKeyRLXOYRVGXDJOOR-QGZVFWFLSA-N
MW397.50 g/mol
LogP1.12
Rot. Bonds6

About (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide

(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (PubChem CID 9243660) has the molecular formula C18H27N3O5S and a molecular weight of 397.50 g/mol. Its IUPAC name is (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.

Molecular Properties

Compound Name(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
PubChem CID9243660
Molecular FormulaC18H27N3O5S
Molecular Weight397.50 g/mol
Exact Mass397.17
IUPAC Name(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide
SMILESCC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)C
InChIInChI=1S/C18H27N3O5S/c1-12(2)17(19-14(4)22)18(23)20-15-6-5-13(3)16(11-15)27(24,25)21-7-9-26-10-8-21/h5-6,11-12,17H,7-10H2,1-4H3,(H,19,22)(H,20,23)/t17-/m1/s1
InChIKeyRLXOYRVGXDJOOR-QGZVFWFLSA-N
XLogP1.12
TPSA104.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.50
LogP ≤ 51.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(3-methylphenoxy)propanamide
CID 7689037
cis-[(2R)-1-(4-methyl-3-morpholin-4-ylsulfonylanilino)-1-oxopropan-2-yl] (1R,2S)-2-methylcyclopropane-1-carboxylate
CID 11921071
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
2-ethyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)hexanamide
CID 46549642
2-(4-chlorophenyl)sulfanyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 42987634
N-[1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-3-morpholin-4-ylsulfonylbenzamide
CID 3396838
2-(4-cyanophenoxy)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 16545878
(4-methyl-3-morpholin-4-ylsulfonylphenyl)thiourea
CID 169358512
(2R)-2-[(2-methyl-1,3-benzoxazol-5-yl)amino]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 31922526
(2R)-2-acetamido-3-methyl-N-(4-morpholin-4-ylphenyl)butanamide
CID 41236080
2-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-(1,2,4-triazol-1-yl)propanamide
CID 46972255
(2S)-2-[4-(2-hydroxyphenyl)piperazin-1-yl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 41144591

Frequently Asked Questions

What is the IUPAC name of (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The IUPAC name of (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide (CID 9243660) is (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide.
What is the SMILES notation for (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The canonical SMILES for (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is CC(=O)N[C@@H](C(=O)Nc1ccc(C)c(S(=O)(=O)N2CCOCC2)c1)C(C)C.
What is the InChIKey of (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
The InChIKey is RLXOYRVGXDJOOR-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H27N3O5S/c1-12(2)17(19-14(4)22)18(23)20-15-6-5-13(3)16(11-15)27(24,25)21-7-9-26-10-8-21/h5-6,11-12,17H,7-10H2,1-4H3,(H,19,22)(H,20,23)/t17-/m1/s1.
What are the key properties of (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide?
(2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide has a molecular weight of 397.50 g/mol, XLogP of 1.12, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-acetamido-3-methyl-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)butanamide is sourced from PubChem (CID 9243660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).