(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide

C17H20N2O4S2 — CID 10786038

IUPAC(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyMRAGOGINUXYQRY-GOEBONIOSA-N
MW380.49 g/mol
LogP1.13
Rot. Bonds9

About (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide

(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide (PubChem CID 10786038) has the molecular formula C17H20N2O4S2 and a molecular weight of 380.49 g/mol. Its IUPAC name is (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide.

Molecular Properties

Compound Name(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide
PubChem CID10786038
Molecular FormulaC17H20N2O4S2
Molecular Weight380.49 g/mol
Exact Mass380.09
IUPAC Name(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide
SMILESCS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1
InChIInChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1
InChIKeyMRAGOGINUXYQRY-GOEBONIOSA-N
XLogP1.13
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.49
LogP ≤ 51.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The IUPAC name of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide (CID 10786038) is (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide.
What is the SMILES notation for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The canonical SMILES for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide is CS(=O)(=O)N[C@H](Cc1cccs1)C(=O)N[C@H](C=O)Cc1ccccc1.
What is the InChIKey of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide?
The InChIKey is MRAGOGINUXYQRY-GOEBONIOSA-N. The full InChI is InChI=1S/C17H20N2O4S2/c1-25(22,23)19-16(11-15-8-5-9-24-15)17(21)18-14(12-20)10-13-6-3-2-4-7-13/h2-9,12,14,16,19H,10-11H2,1H3,(H,18,21)/t14-,16+/m0/s1.
What are the key properties of (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide?
(2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide has a molecular weight of 380.49 g/mol, XLogP of 1.13, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(methanesulfonamido)-N-[(2S)-1-oxo-3-phenylpropan-2-yl]-3-thiophen-2-ylpropanamide is sourced from PubChem (CID 10786038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).