(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide

C21H26N2O4S — CID 7689032

IUPAC(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-16-8-9-19(15-20(16)28(25,26)23-10-12-27-13-11-23)22-21(24)14-17(2)18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyFVLZFUSVGKLJNS-QGZVFWFLSA-N
MW402.52 g/mol
LogP3.15
Rot. Bonds6

About (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide

(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide (PubChem CID 7689032) has the molecular formula C21H26N2O4S and a molecular weight of 402.52 g/mol. Its IUPAC name is (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide.

Molecular Properties

Compound Name(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
PubChem CID7689032
Molecular FormulaC21H26N2O4S
Molecular Weight402.52 g/mol
Exact Mass402.16
IUPAC Name(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide
SMILESCc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1
InChIInChI=1S/C21H26N2O4S/c1-16-8-9-19(15-20(16)28(25,26)23-10-12-27-13-11-23)22-21(24)14-17(2)18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,22,24)/t17-/m1/s1
InChIKeyFVLZFUSVGKLJNS-QGZVFWFLSA-N
XLogP3.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.52
LogP ≤ 53.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-N-phenylacetamide
CID 9100328
2-chloro-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3409401
3-(benzenesulfonyl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)propanamide
CID 4966347
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenylmethoxyacetamide
CID 55358424
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-naphthalen-2-ylsulfanylacetamide
CID 16515870
(2R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-phenoxybutanamide
CID 26521362
N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-2-(4-methylphenyl)sulfanylacetamide
CID 16528218
2-[1-(2,6-difluorophenyl)ethylsulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 55909628
2-(1,2-benzoxazol-3-yl)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 9183622
2-[(4,5-diphenyl-1,3-oxazol-2-yl)sulfanyl]-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)acetamide
CID 3947415
5-bromo-N-[2-(4-methyl-3-morpholin-4-ylsulfonylanilino)-2-oxoethyl]furan-2-carboxamide
CID 24620415
N-(4-bromophenyl)-2-(4-methyl-3-morpholin-4-ylsulfonylanilino)acetamide
CID 26438150

Frequently Asked Questions

What is the IUPAC name of (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide?
The IUPAC name of (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide (CID 7689032) is (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide.
What is the SMILES notation for (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide?
The canonical SMILES for (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide is Cc1ccc(NC(=O)C[C@@H](C)c2ccccc2)cc1S(=O)(=O)N1CCOCC1.
What is the InChIKey of (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide?
The InChIKey is FVLZFUSVGKLJNS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H26N2O4S/c1-16-8-9-19(15-20(16)28(25,26)23-10-12-27-13-11-23)22-21(24)14-17(2)18-6-4-3-5-7-18/h3-9,15,17H,10-14H2,1-2H3,(H,22,24)/t17-/m1/s1.
What are the key properties of (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide?
(3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide has a molecular weight of 402.52 g/mol, XLogP of 3.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-(4-methyl-3-morpholin-4-ylsulfonylphenyl)-3-phenylbutanamide is sourced from PubChem (CID 7689032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).