(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide

C17H23F2NO6S — CID 97064324

IUPAC(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCOc1cc(CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO6S/c1-11(27(22,23)13-5-7-25-8-6-13)16(21)20-10-12-3-4-14(26-17(18)19)15(9-12)24-2/h3-4,9,11,13,17H,5-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyANCXJBPZTPCNIL-LLVKDONJSA-N
MW407.44 g/mol
LogP1.90
Rot. Bonds8

About (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide

(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide (PubChem CID 97064324) has the molecular formula C17H23F2NO6S and a molecular weight of 407.44 g/mol. Its IUPAC name is (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide.

Molecular Properties

Compound Name(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide
PubChem CID97064324
Molecular FormulaC17H23F2NO6S
Molecular Weight407.44 g/mol
Exact Mass407.12
IUPAC Name(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide
SMILESCOc1cc(CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)ccc1OC(F)F
InChIInChI=1S/C17H23F2NO6S/c1-11(27(22,23)13-5-7-25-8-6-13)16(21)20-10-12-3-4-14(26-17(18)19)15(9-12)24-2/h3-4,9,11,13,17H,5-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1
InChIKeyANCXJBPZTPCNIL-LLVKDONJSA-N
XLogP1.90
TPSA90.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.44
LogP ≤ 51.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-methylcyclopropane-1-carboxamide
CID 47009227
(2S)-N-[(3,4-dimethoxyphenyl)methyl]-2-methylsulfonylpropanamide
CID 94025525
1-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-[(2-morpholin-4-ylsulfonylphenyl)methyl]urea
CID 46445553
2-(4-bromophenyl)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 9261428
(2S)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-[(2-fluorophenyl)sulfonylamino]-3-methylbutanamide
CID 31552454
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-9H-xanthene-9-carboxamide
CID 9193847
2-(cyclooctylamino)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]acetamide
CID 8558997
N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-4-ethoxypiperidine-1-carboxamide
CID 51124414
2-amino-N-[(3-ethoxy-4-methoxyphenyl)methyl]-2-(oxan-4-yl)acetamide
CID 120792906
4-(difluoromethoxy)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-3-ethoxybenzamide
CID 9261772
N-[[3-(difluoromethoxy)-4-methoxyphenyl]methyl]pyrrolidine-2-carboxamide
CID 119285265
4-(difluoromethoxy)-3-methoxy-N-[[3-methoxy-4-(3-methylbutoxy)phenyl]methyl]benzamide
CID 55713768

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide?
The IUPAC name of (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide (CID 97064324) is (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide.
What is the SMILES notation for (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide?
The canonical SMILES for (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide is COc1cc(CNC(=O)[C@@H](C)S(=O)(=O)C2CCOCC2)ccc1OC(F)F.
What is the InChIKey of (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide?
The InChIKey is ANCXJBPZTPCNIL-LLVKDONJSA-N. The full InChI is InChI=1S/C17H23F2NO6S/c1-11(27(22,23)13-5-7-25-8-6-13)16(21)20-10-12-3-4-14(26-17(18)19)15(9-12)24-2/h3-4,9,11,13,17H,5-8,10H2,1-2H3,(H,20,21)/t11-/m1/s1.
What are the key properties of (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide?
(2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide has a molecular weight of 407.44 g/mol, XLogP of 1.90, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[4-(difluoromethoxy)-3-methoxyphenyl]methyl]-2-(oxan-4-ylsulfonyl)propanamide is sourced from PubChem (CID 97064324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).