[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid

C19H21NO5S — CID 67417487

IUPAC[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCOC(=O)C(C[C@@H](Cc1ccccc1)S(=O)c1ccccc1)NC(=O)O
InChIInChI=1S/C19H21NO5S/c1-25-18(21)17(20-19(22)23)13-16(12-14-8-4-2-5-9-14)26(24)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3,(H,22,23)/t16-,17?,26?/m1/s1
InChIKeyUFBBNNXWESFRQC-IPLYWENSSA-N
MW375.45 g/mol
LogP2.60
Rot. Bonds8

About [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid

[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid (PubChem CID 67417487) has the molecular formula C19H21NO5S and a molecular weight of 375.45 g/mol. Its IUPAC name is [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid.

Molecular Properties

Compound Name[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid
PubChem CID67417487
Molecular FormulaC19H21NO5S
Molecular Weight375.45 g/mol
Exact Mass375.11
IUPAC Name[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid
SMILESCOC(=O)C(C[C@@H](Cc1ccccc1)S(=O)c1ccccc1)NC(=O)O
InChIInChI=1S/C19H21NO5S/c1-25-18(21)17(20-19(22)23)13-16(12-14-8-4-2-5-9-14)26(24)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3,(H,22,23)/t16-,17?,26?/m1/s1
InChIKeyUFBBNNXWESFRQC-IPLYWENSSA-N
XLogP2.60
TPSA92.70 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 52.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid with MolForge

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Related Compounds

[(4R)-4-decylsulfinyl-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid
CID 67419025
(4-ethylsulfanyl-1-methoxy-1-oxo-5-phenylpentan-2-yl)carbamic acid
CID 77288604
(3S)-3-(carboxyamino)-4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]-4-oxobutanoic acid
CID 18604997
methyl (2R)-4-methyl-2-[[(2R)-2-[[(2R)-2-methyl-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]pentanoate
CID 159611704
methyl (3S)-2,3-dihydroxy-4-phenylbutanoate
CID 129084711
methyl 2-methyl-3-phenylpropanoate
CID 11105919
(1-methoxy-1-oxo-3-phenylpropan-2-yl)carbamothioic S-acid
CID 89345339
methyl (2S)-2-[4-[[(2S)-1-methoxy-1-oxo-3-phenylpropan-2-yl]amino]but-2-ynylamino]-3-phenylpropanoate
CID 101373145
methyl (2S)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoate
CID 10663892
ethane;methyl 2-acetamido-3-phenylpropanoate;N-methylmethanamine
CID 91439308
methyl 2-[(2-methylbenzoyl)amino]-3-phenylpropanoate
CID 3350942
[(4R)-1-amino-4-(dimethylamino)-1-oxo-5-phenylpentan-2-yl]carbamic acid
CID 139450680

Frequently Asked Questions

What is the IUPAC name of [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The IUPAC name of [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid (CID 67417487) is [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid.
What is the SMILES notation for [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The canonical SMILES for [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid is COC(=O)C(C[C@@H](Cc1ccccc1)S(=O)c1ccccc1)NC(=O)O.
What is the InChIKey of [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid?
The InChIKey is UFBBNNXWESFRQC-IPLYWENSSA-N. The full InChI is InChI=1S/C19H21NO5S/c1-25-18(21)17(20-19(22)23)13-16(12-14-8-4-2-5-9-14)26(24)15-10-6-3-7-11-15/h2-11,16-17,20H,12-13H2,1H3,(H,22,23)/t16-,17?,26?/m1/s1.
What are the key properties of [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid?
[(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid has a molecular weight of 375.45 g/mol, XLogP of 2.60, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(4R)-4-(benzenesulfinyl)-1-methoxy-1-oxo-5-phenylpentan-2-yl]carbamic acid is sourced from PubChem (CID 67417487), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).