2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide

C14H23N3O3S — CID 106335596

IUPAC2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-2-17-21(19,20)9-8-16-14(18)13(11-15)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11,15H2,1H3,(H,16,18)
InChIKeyHNJHGYDQCBIHMK-UHFFFAOYSA-N
MW313.42 g/mol
LogP-0.14
Rot. Bonds9

About 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide

2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide (PubChem CID 106335596) has the molecular formula C14H23N3O3S and a molecular weight of 313.42 g/mol. Its IUPAC name is 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide.

Molecular Properties

Compound Name2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
PubChem CID106335596
Molecular FormulaC14H23N3O3S
Molecular Weight313.42 g/mol
Exact Mass313.15
IUPAC Name2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide
SMILESCCNS(=O)(=O)CCNC(=O)C(CN)Cc1ccccc1
InChIInChI=1S/C14H23N3O3S/c1-2-17-21(19,20)9-8-16-14(18)13(11-15)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11,15H2,1H3,(H,16,18)
InChIKeyHNJHGYDQCBIHMK-UHFFFAOYSA-N
XLogP-0.14
TPSA101.29 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.42
LogP ≤ 5-0.14
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-(aminomethyl)-N-(4-methylpentyl)-3-phenylpropanamide
CID 63002980
3-(2-aminoethyl)-N-[2-(ethylsulfamoyl)ethyl]benzamide
CID 106333123
2-(aminomethyl)-3-phenyl-N-(3-propoxypropyl)propanamide
CID 82940849
2-[4-(aminomethyl)phenyl]-N-[2-(ethylsulfamoyl)ethyl]acetamide
CID 106333121
N-[2-(ethylsulfamoyl)ethyl]-2-hydrazinylbenzamide
CID 106340919
2-[[(2R)-2-benzyl-3-sulfanylpropanoyl]amino]ethanesulfonate
CID 91928799
N-[2-(ethylsulfamoyl)ethyl]-2-(propan-2-ylamino)benzamide
CID 106340243
2-amino-N-[2-(ethylsulfamoyl)ethyl]propanamide
CID 103796449
(2S)-2-amino-3-phenyl-N-[2-(propan-2-ylsulfamoyl)ethyl]propanamide;hydrochloride
CID 119309214
N-[2-(2-phenylethylsulfamoyl)ethyl]benzamide
CID 7423263
2-amino-N-[2-(benzylsulfamoyl)ethyl]acetamide
CID 119289553
2-ethyl-N-[2-(phenylsulfamoyl)ethyl]butanamide
CID 110408207

Frequently Asked Questions

What is the IUPAC name of 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide?
The IUPAC name of 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide (CID 106335596) is 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide.
What is the SMILES notation for 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide?
The canonical SMILES for 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide is CCNS(=O)(=O)CCNC(=O)C(CN)Cc1ccccc1.
What is the InChIKey of 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide?
The InChIKey is HNJHGYDQCBIHMK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3S/c1-2-17-21(19,20)9-8-16-14(18)13(11-15)10-12-6-4-3-5-7-12/h3-7,13,17H,2,8-11,15H2,1H3,(H,16,18).
What are the key properties of 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide?
2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide has a molecular weight of 313.42 g/mol, XLogP of -0.14, 9 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(aminomethyl)-N-[2-(ethylsulfamoyl)ethyl]-3-phenylpropanamide is sourced from PubChem (CID 106335596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).