(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide

C20H23F2NO5S — CID 51946948

IUPAC(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCOc1cc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO5S/c1-13(16-7-5-4-6-8-16)23-19(24)14(2)29(25,26)12-15-9-10-17(28-20(21)22)18(11-15)27-3/h4-11,13-14,20H,12H2,1-3H3,(H,23,24)/t13-,14+/m1/s1
InChIKeyOWLFYDHJLSLZRP-KGLIPLIRSA-N
MW427.47 g/mol
LogP3.48
Rot. Bonds9

About (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide

(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide (PubChem CID 51946948) has the molecular formula C20H23F2NO5S and a molecular weight of 427.47 g/mol. Its IUPAC name is (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide
PubChem CID51946948
Molecular FormulaC20H23F2NO5S
Molecular Weight427.47 g/mol
Exact Mass427.13
IUPAC Name(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide
SMILESCOc1cc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F
InChIInChI=1S/C20H23F2NO5S/c1-13(16-7-5-4-6-8-16)23-19(24)14(2)29(25,26)12-15-9-10-17(28-20(21)22)18(11-15)27-3/h4-11,13-14,20H,12H2,1-3H3,(H,23,24)/t13-,14+/m1/s1
InChIKeyOWLFYDHJLSLZRP-KGLIPLIRSA-N
XLogP3.48
TPSA81.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.47
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(difluoromethoxy)-3-methoxy-N-[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl]benzamide
CID 9315107
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-2,2-diphenylacetamide
CID 46440384
N-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethyl]propane-2-sulfonamide
CID 61363039
2-(3-fluoro-4-methoxyphenyl)-N-[(1R)-1-phenylethyl]acetamide
CID 9032944
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
CID 124548042
2-[4-(hydroxymethyl)-2-methoxyphenoxy]-N-(1-phenylethyl)acetamide
CID 19621809
4-(difluoromethoxy)-3-ethoxy-N-(1-phenylethyl)benzamide
CID 42906041
N-[(2S,3S)-1-[2-[4-(difluoromethoxy)-3-methoxyphenyl]ethylamino]-3-methyl-1-oxopentan-2-yl]benzamide
CID 24549048
[2-oxo-2-[[(1R)-1-phenylethyl]amino]ethyl] 2-(3,4-dimethoxyphenyl)acetate
CID 2391402
2-[(3,4-dimethoxyphenyl)methyl-methylamino]-N-[(1R)-1-phenylethyl]acetamide
CID 2535329
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide?
The IUPAC name of (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide (CID 51946948) is (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide.
What is the SMILES notation for (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide?
The canonical SMILES for (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide is COc1cc(CS(=O)(=O)[C@@H](C)C(=O)N[C@H](C)c2ccccc2)ccc1OC(F)F.
What is the InChIKey of (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide?
The InChIKey is OWLFYDHJLSLZRP-KGLIPLIRSA-N. The full InChI is InChI=1S/C20H23F2NO5S/c1-13(16-7-5-4-6-8-16)23-19(24)14(2)29(25,26)12-15-9-10-17(28-20(21)22)18(11-15)27-3/h4-11,13-14,20H,12H2,1-3H3,(H,23,24)/t13-,14+/m1/s1.
What are the key properties of (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide?
(2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide has a molecular weight of 427.47 g/mol, XLogP of 3.48, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[[4-(difluoromethoxy)-3-methoxyphenyl]methylsulfonyl]-N-[(1R)-1-phenylethyl]propanamide is sourced from PubChem (CID 51946948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).