(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

C17H20F2N2O4S2 — CID 30462247

IUPAC(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O4S2/c1-11(2)15(21-27(23,24)14-8-5-9-26-14)16(22)20-10-12-6-3-4-7-13(12)25-17(18)19/h3-9,11,15,17,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyDDWQIXMPPKBVOS-OAHLLOKOSA-N
MW418.49 g/mol
LogP2.97
Rot. Bonds9

About (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide

(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (PubChem CID 30462247) has the molecular formula C17H20F2N2O4S2 and a molecular weight of 418.49 g/mol. Its IUPAC name is (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.

Molecular Properties

Compound Name(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
PubChem CID30462247
Molecular FormulaC17H20F2N2O4S2
Molecular Weight418.49 g/mol
Exact Mass418.08
IUPAC Name(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
SMILESCC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1OC(F)F
InChIInChI=1S/C17H20F2N2O4S2/c1-11(2)15(21-27(23,24)14-8-5-9-26-14)16(22)20-10-12-6-3-4-7-13(12)25-17(18)19/h3-9,11,15,17,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1
InChIKeyDDWQIXMPPKBVOS-OAHLLOKOSA-N
XLogP2.97
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.49
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-N-[[4-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 42006334
(2R)-N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 26873900
N-benzyl-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 22427284
(2S)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-[[(E)-2-phenylethenyl]sulfonylamino]butanamide
CID 24614418
(2S)-N-(furan-2-ylmethyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111102
(2R)-N-(3-methoxypropyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111123
N-(4-fluorophenyl)-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965305
(2R)-3-methyl-N-(3-propan-2-yloxypropyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 41111125
3-methyl-N-(pyridin-3-ylmethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 20965295
(2S)-N-[2-(2-methoxy-5-methylphenyl)ethyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide
CID 31716394
(3S)-N-[[2-(difluoromethoxy)phenyl]methyl]-2-thiophen-2-ylsulfonyl-3,4-dihydro-1H-isoquinoline-3-carboxamide
CID 55941308
3-methyl-N-(2-phenyl-2-pyrrolidin-1-ylethyl)-2-(thiophen-2-ylsulfonylamino)butanamide
CID 43005231

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The IUPAC name of (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide (CID 30462247) is (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide.
What is the SMILES notation for (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The canonical SMILES for (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is CC(C)[C@@H](NS(=O)(=O)c1cccs1)C(=O)NCc1ccccc1OC(F)F.
What is the InChIKey of (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
The InChIKey is DDWQIXMPPKBVOS-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H20F2N2O4S2/c1-11(2)15(21-27(23,24)14-8-5-9-26-14)16(22)20-10-12-6-3-4-7-13(12)25-17(18)19/h3-9,11,15,17,21H,10H2,1-2H3,(H,20,22)/t15-/m1/s1.
What are the key properties of (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide?
(2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide has a molecular weight of 418.49 g/mol, XLogP of 2.97, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[[2-(difluoromethoxy)phenyl]methyl]-3-methyl-2-(thiophen-2-ylsulfonylamino)butanamide is sourced from PubChem (CID 30462247), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).