(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide

C20H23IN2O4S — CID 126338611

IUPAC(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C20H23IN2O4S/c21-16-8-10-18(11-9-16)28(25,26)23-19(13-15-5-2-1-3-6-15)20(24)22-14-17-7-4-12-27-17/h1-3,5-6,8-11,17,19,23H,4,7,12-14H2,(H,22,24)/t17-,19+/m0/s1
InChIKeyFLEHXMBXIQRSEF-PKOBYXMFSA-N
MW514.39 g/mol
LogP2.48
Rot. Bonds8

About (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide

(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide (PubChem CID 126338611) has the molecular formula C20H23IN2O4S and a molecular weight of 514.39 g/mol. Its IUPAC name is (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide.

Molecular Properties

Compound Name(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
PubChem CID126338611
Molecular FormulaC20H23IN2O4S
Molecular Weight514.39 g/mol
Exact Mass514.04
IUPAC Name(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
SMILESO=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1
InChIInChI=1S/C20H23IN2O4S/c21-16-8-10-18(11-9-16)28(25,26)23-19(13-15-5-2-1-3-6-15)20(24)22-14-17-7-4-12-27-17/h1-3,5-6,8-11,17,19,23H,4,7,12-14H2,(H,22,24)/t17-,19+/m0/s1
InChIKeyFLEHXMBXIQRSEF-PKOBYXMFSA-N
XLogP2.48
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500514.39
LogP ≤ 52.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Related Compounds

(2S)-2-[(4-methoxy-3-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 28541625
(2R)-2-[(2-methoxy-5-methylphenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 28539803
(2R)-2-[(4-methoxyphenyl)sulfonylamino]-N-[[(2R)-oxolan-2-yl]methyl]propanamide
CID 7453365
N-[[(2R)-oxolan-2-yl]methyl]-3-[4-[[(1R)-1-phenylethyl]sulfamoyl]phenyl]propanamide
CID 1007008
2-(benzenesulfonamido)-N-(oxolan-2-ylmethyl)acetamide
CID 2942219
(2S)-2-[(4-bromophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 124583658
(2S)-2-[(4-chlorophenyl)sulfonylamino]-N-cyclopentyl-3-phenylpropanamide
CID 40931957
4-iodo-N-[[(2R)-oxolan-2-yl]methyl]benzamide
CID 875708
2-[N-(benzenesulfonyl)-4-iodoanilino]-N-[[(2R)-oxolan-2-yl]methyl]acetamide
CID 1303995
(2S)-2-[benzyl-[2-[benzyl(methylsulfonyl)amino]acetyl]amino]-N-[[(2R)-oxolan-2-yl]methyl]-3-phenylpropanamide
CID 125046408
(2S)-N-cyclooctyl-2-[(4-fluorophenyl)sulfonylamino]-3-phenylpropanamide
CID 28541243
N-[4-(oxolan-2-ylmethylsulfamoyl)phenyl]-2,2-diphenylacetamide
CID 17147844

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The IUPAC name of (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide (CID 126338611) is (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide.
What is the SMILES notation for (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The canonical SMILES for (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide is O=C(NC[C@@H]1CCCO1)[C@@H](Cc1ccccc1)NS(=O)(=O)c1ccc(I)cc1.
What is the InChIKey of (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
The InChIKey is FLEHXMBXIQRSEF-PKOBYXMFSA-N. The full InChI is InChI=1S/C20H23IN2O4S/c21-16-8-10-18(11-9-16)28(25,26)23-19(13-15-5-2-1-3-6-15)20(24)22-14-17-7-4-12-27-17/h1-3,5-6,8-11,17,19,23H,4,7,12-14H2,(H,22,24)/t17-,19+/m0/s1.
What are the key properties of (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide?
(2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide has a molecular weight of 514.39 g/mol, XLogP of 2.48, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(4-iodophenyl)sulfonylamino]-N-[[(2S)-oxolan-2-yl]methyl]-3-phenylpropanamide is sourced from PubChem (CID 126338611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).