(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide

C19H24N2O5S — CID 124548042

IUPAC(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-13(15-8-6-5-7-9-15)20-19(22)14(2)21-27(23,24)16-10-11-17(25-3)18(12-16)26-4/h5-14,21H,1-4H3,(H,20,22)/t13-,14+/m0/s1
InChIKeyORWPKURRCKYJAH-UONOGXRCSA-N
MW392.48 g/mol
LogP2.25
Rot. Bonds8

About (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide

(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide (PubChem CID 124548042) has the molecular formula C19H24N2O5S and a molecular weight of 392.48 g/mol. Its IUPAC name is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide.

Molecular Properties

Compound Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
PubChem CID124548042
Molecular FormulaC19H24N2O5S
Molecular Weight392.48 g/mol
Exact Mass392.14
IUPAC Name(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide
SMILESCOc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1OC
InChIInChI=1S/C19H24N2O5S/c1-13(15-8-6-5-7-9-15)20-19(22)14(2)21-27(23,24)16-10-11-17(25-3)18(12-16)26-4/h5-14,21H,1-4H3,(H,20,22)/t13-,14+/m0/s1
InChIKeyORWPKURRCKYJAH-UONOGXRCSA-N
XLogP2.25
TPSA93.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.48
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2R)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 28538757
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[1-(4-fluorophenyl)ethyl]-3-phenylpropanamide
CID 43906642
(2R)-N-[(1R)-1-(3-bromophenyl)ethyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenylpropanamide
CID 94860886
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]propanamide
CID 30404026
methyl 2-[(3,4-dimethoxyphenyl)sulfonylamino]-2-phenylacetate
CID 3721813
2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(2-methoxyphenyl)methyl]propanamide
CID 43834722
(2R)-N-cyclopropyl-2-[(3,4-dimethoxyphenyl)sulfonylamino]propanamide
CID 7369499
(2S)-2-(benzenesulfonamido)-N-(3,4-dimethoxyphenyl)propanamide
CID 51432486
(2R)-2-[(3-chloro-4-methoxyphenyl)sulfonylamino]-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 94860943
2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-phenyl-N-propan-2-ylpropanamide
CID 43870729
2-(3,4-dimethoxyphenyl)-N-(1-phenylethyl)propanamide
CID 171372657
(2R)-2-(benzenesulfonamido)-N-[(1S)-1-(3,4-dimethoxyphenyl)ethyl]-3-phenylpropanamide
CID 92645937

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide?
The IUPAC name of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide (CID 124548042) is (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide.
What is the SMILES notation for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide?
The canonical SMILES for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide is COc1ccc(S(=O)(=O)N[C@H](C)C(=O)N[C@@H](C)c2ccccc2)cc1OC.
What is the InChIKey of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide?
The InChIKey is ORWPKURRCKYJAH-UONOGXRCSA-N. The full InChI is InChI=1S/C19H24N2O5S/c1-13(15-8-6-5-7-9-15)20-19(22)14(2)21-27(23,24)16-10-11-17(25-3)18(12-16)26-4/h5-14,21H,1-4H3,(H,20,22)/t13-,14+/m0/s1.
What are the key properties of (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide?
(2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide has a molecular weight of 392.48 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[(3,4-dimethoxyphenyl)sulfonylamino]-N-[(1S)-1-phenylethyl]propanamide is sourced from PubChem (CID 124548042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).