N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide

C19H21NO4S — CID 134521738

IUPACN-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1COc2ccccc2[C@H]1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H21NO4S/c1-13(14-8-4-3-5-9-14)19(21)20-16-12-24-17-11-7-6-10-15(17)18(16)25(2,22)23/h3-11,13,16,18H,12H2,1-2H3,(H,20,21)/t13?,16-,18-/m1/s1
InChIKeyCDQZZCHPOLEVMS-FMRBYIFOSA-N
MW359.45 g/mol
LogP2.45
Rot. Bonds4

About N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide

N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide (PubChem CID 134521738) has the molecular formula C19H21NO4S and a molecular weight of 359.45 g/mol. Its IUPAC name is N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide.

Molecular Properties

Compound NameN-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
PubChem CID134521738
Molecular FormulaC19H21NO4S
Molecular Weight359.45 g/mol
Exact Mass359.12
IUPAC NameN-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
SMILESCC(C(=O)N[C@@H]1COc2ccccc2[C@H]1S(C)(=O)=O)c1ccccc1
InChIInChI=1S/C19H21NO4S/c1-13(14-8-4-3-5-9-14)19(21)20-16-12-24-17-11-7-6-10-15(17)18(16)25(2,22)23/h3-11,13,16,18H,12H2,1-2H3,(H,20,21)/t13?,16-,18-/m1/s1
InChIKeyCDQZZCHPOLEVMS-FMRBYIFOSA-N
XLogP2.45
TPSA72.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.45
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-fluorophenyl)-N-(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)propanamide
CID 172873483
(2S)-N-[(3S,4S)-4-methylsulfanyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 146234615
(2S)-N-[(3S,4S)-4-(methylamino)-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide
CID 134521718
(2S)-2-(4-chlorophenyl)-1-[(4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl)amino]propan-1-ol
CID 146248069
(2S)-N-[4-(dimethylamino)-3,4-dihydro-2H-chromen-3-yl]-2-(4-fluorophenyl)propanamide
CID 134536633
(2R)-N-[(2S,3S)-3-hydroxy-1,2,3,4-tetrahydronaphthalen-2-yl]-2-phenylpropanamide
CID 18646616
N-[(1R,2R)-2-hydroxy-2,3-dihydro-1H-inden-1-yl]-2-phenylpropanamide
CID 70273214
2-(2,3-dihydro-1-benzofuran-3-ylmethylsulfonyl)propanoic acid
CID 79229941
1-[(3R,4R)-4-hydroxy-3,4-dihydro-2H-chromen-3-yl]-3-[(1S)-1-(4-phenylphenyl)ethyl]urea
CID 166350491
(2R)-2-amino-N-(2,3-dihydro-1-benzofuran-3-yl)-3-methylbutanamide
CID 79012503
(2S)-N-[(4R)-3,4-dihydro-2H-chromen-4-yl]-2-methylsulfonylpropanamide
CID 94025535
N-(2,3-dihydro-1-benzofuran-3-yl)propane-2-sulfonamide
CID 62066112

Frequently Asked Questions

What is the IUPAC name of N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The IUPAC name of N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide (CID 134521738) is N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide.
What is the SMILES notation for N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The canonical SMILES for N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide is CC(C(=O)N[C@@H]1COc2ccccc2[C@H]1S(C)(=O)=O)c1ccccc1.
What is the InChIKey of N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
The InChIKey is CDQZZCHPOLEVMS-FMRBYIFOSA-N. The full InChI is InChI=1S/C19H21NO4S/c1-13(14-8-4-3-5-9-14)19(21)20-16-12-24-17-11-7-6-10-15(17)18(16)25(2,22)23/h3-11,13,16,18H,12H2,1-2H3,(H,20,21)/t13?,16-,18-/m1/s1.
What are the key properties of N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide?
N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide has a molecular weight of 359.45 g/mol, XLogP of 2.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3R,4R)-4-methylsulfonyl-3,4-dihydro-2H-chromen-3-yl]-2-phenylpropanamide is sourced from PubChem (CID 134521738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).