2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide

C15H20N2O4S — CID 90122451

IUPAC2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(CC(N)C(=O)NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-2-9-21-12-5-3-11(4-6-12)10-14(16)15(18)17-22(19,20)13-7-8-13/h2-6,13-14H,1,7-10,16H2,(H,17,18)
InChIKeyKKFZAMSWCRCDRR-UHFFFAOYSA-N
MW324.40 g/mol
LogP0.73
Rot. Bonds8

About 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide

2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide (PubChem CID 90122451) has the molecular formula C15H20N2O4S and a molecular weight of 324.40 g/mol. Its IUPAC name is 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide.

Molecular Properties

Compound Name2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide
PubChem CID90122451
Molecular FormulaC15H20N2O4S
Molecular Weight324.40 g/mol
Exact Mass324.11
IUPAC Name2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide
SMILESC=CCOc1ccc(CC(N)C(=O)NS(=O)(=O)C2CC2)cc1
InChIInChI=1S/C15H20N2O4S/c1-2-9-21-12-5-3-11(4-6-12)10-14(16)15(18)17-22(19,20)13-7-8-13/h2-6,13-14H,1,7-10,16H2,(H,17,18)
InChIKeyKKFZAMSWCRCDRR-UHFFFAOYSA-N
XLogP0.73
TPSA98.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.40
LogP ≤ 50.73
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-amino-N-cyclopropylsulfonyl-3-phenylpropanamide
CID 103308493
(3S)-3-amino-4-(4-prop-2-enoxyphenyl)butan-2-one
CID 170070468
tert-butyl 2-amino-3-(4-prop-2-enoxyphenyl)propanoate
CID 123981961
hydron;methyl (2S)-2-[[(2S)-2-amino-3-(4-prop-2-enoxyphenyl)propanoyl]amino]-4-methylpentanoate;chloride
CID 66847088
[1-amino-1-oxo-3-(4-prop-2-enoxyphenyl)propan-2-yl]carbamic acid
CID 90134477
methyl 2-amino-3-[4-(2-ethenylcyclopropyl)oxyphenyl]propanoate
CID 144819638
2-amino-3-(4-ethoxyphenyl)-N',N'-dimethylpropanehydrazide
CID 116849927
methyl (2S)-3-(4-prop-2-enoxyphenyl)-2-pyrrol-1-ylpropanoate
CID 102183908
methyl (2S)-2-[[(2S)-2-acetamido-3-(4-prop-2-enoxyphenyl)propanoyl]amino]-4-methylpentanoate
CID 155749289
(2S)-2-amino-3-(4-butoxyphenyl)-N-hydroxypropanamide
CID 87750253
2-amino-3-[4-[(E)-but-2-enoxy]phenyl]propanoic acid
CID 143493409
(2S)-2-(diphosphanylamino)-3-(4-prop-2-enoxyphenyl)propanoic acid
CID 59990438

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide?
The IUPAC name of 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide (CID 90122451) is 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide.
What is the SMILES notation for 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide?
The canonical SMILES for 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide is C=CCOc1ccc(CC(N)C(=O)NS(=O)(=O)C2CC2)cc1.
What is the InChIKey of 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide?
The InChIKey is KKFZAMSWCRCDRR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O4S/c1-2-9-21-12-5-3-11(4-6-12)10-14(16)15(18)17-22(19,20)13-7-8-13/h2-6,13-14H,1,7-10,16H2,(H,17,18).
What are the key properties of 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide?
2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide has a molecular weight of 324.40 g/mol, XLogP of 0.73, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-cyclopropylsulfonyl-3-(4-prop-2-enoxyphenyl)propanamide is sourced from PubChem (CID 90122451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).