(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide

C17H26N2O5S — CID 87710793

IUPAC(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide
SMILESCCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1cccc(O)c1
InChIInChI=1S/C17H26N2O5S/c1-3-6-14(7-4-2)25(23,24)11-17(19,16(18)22)15(21)12-8-5-9-13(20)10-12/h5,8-10,14,20H,3-4,6-7,11,19H2,1-2H3,(H2,18,22)/t17-/m1/s1
InChIKeyYUVDCRISBJNKNE-QGZVFWFLSA-N
MW370.47 g/mol
LogP1.14
Rot. Bonds10

About (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide

(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide (PubChem CID 87710793) has the molecular formula C17H26N2O5S and a molecular weight of 370.47 g/mol. Its IUPAC name is (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide.

Molecular Properties

Compound Name(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide
PubChem CID87710793
Molecular FormulaC17H26N2O5S
Molecular Weight370.47 g/mol
Exact Mass370.16
IUPAC Name(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide
SMILESCCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1cccc(O)c1
InChIInChI=1S/C17H26N2O5S/c1-3-6-14(7-4-2)25(23,24)11-17(19,16(18)22)15(21)12-8-5-9-13(20)10-12/h5,8-10,14,20H,3-4,6-7,11,19H2,1-2H3,(H2,18,22)/t17-/m1/s1
InChIKeyYUVDCRISBJNKNE-QGZVFWFLSA-N
XLogP1.14
TPSA140.55 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.47
LogP ≤ 51.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-methylphenyl)-3-oxopropanamide
CID 87710884
(2S)-2-amino-3-(3-fluorophenyl)-2-(heptan-4-ylsulfonylmethyl)-3-oxopropanamide;hydrochloride
CID 87711109
2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(1H-indol-6-yl)-3-oxopropanamide;hydrochloride
CID 87711124
(2R)-2-amino-2-(4-deuterioheptan-4-ylsulfonylmethyl)-3-(3-ethylphenyl)-3-oxopropanamide
CID 91327325
2-amino-2-(heptan-4-ylsulfonylmethyl)-3-oxo-5-phenylpentanamide
CID 87710902
2-amino-2-(heptan-4-ylsulfonylmethyl)-4-(1H-imidazol-5-yl)-3-oxobutanamide
CID 87710521
2-amino-4-cyclopropyl-2-(heptan-4-ylsulfonylmethyl)-3-oxobutanamide;hydrochloride
CID 87710810
[2-oxo-2-(pentan-2-ylamino)ethyl] 3-hydroxybenzoate
CID 18073982
N-hexan-3-yl-3-hydroxybenzamide
CID 62118966
2-amino-1-(3-hydroxyphenyl)propan-1-one;hydrochloride
CID 22601034
methylcarbamic acid;3-pentan-2-ylphenol
CID 174607568
N-[(2R)-1-amino-1-oxopropan-2-yl]-3-hydroxybenzamide
CID 171390389

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide?
The IUPAC name of (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide (CID 87710793) is (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide.
What is the SMILES notation for (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide?
The canonical SMILES for (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide is CCCC(CCC)S(=O)(=O)C[C@](N)(C(N)=O)C(=O)c1cccc(O)c1.
What is the InChIKey of (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide?
The InChIKey is YUVDCRISBJNKNE-QGZVFWFLSA-N. The full InChI is InChI=1S/C17H26N2O5S/c1-3-6-14(7-4-2)25(23,24)11-17(19,16(18)22)15(21)12-8-5-9-13(20)10-12/h5,8-10,14,20H,3-4,6-7,11,19H2,1-2H3,(H2,18,22)/t17-/m1/s1.
What are the key properties of (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide?
(2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide has a molecular weight of 370.47 g/mol, XLogP of 1.14, 10 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-2-(heptan-4-ylsulfonylmethyl)-3-(3-hydroxyphenyl)-3-oxopropanamide is sourced from PubChem (CID 87710793), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).