2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide

C13H19N3O3S — CID 60867551

IUPAC2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H19N3O3S/c1-13(14,10-4-5-10)12(17)16-11-6-2-9(3-7-11)8-20(15,18)19/h2-3,6-7,10H,4-5,8,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyNSYOJLZVZWHSAQ-UHFFFAOYSA-N
MW297.38 g/mol
LogP0.54
Rot. Bonds5

About 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide

2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide (PubChem CID 60867551) has the molecular formula C13H19N3O3S and a molecular weight of 297.38 g/mol. Its IUPAC name is 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide.

Molecular Properties

Compound Name2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
PubChem CID60867551
Molecular FormulaC13H19N3O3S
Molecular Weight297.38 g/mol
Exact Mass297.11
IUPAC Name2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
SMILESCC(N)(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CC1
InChIInChI=1S/C13H19N3O3S/c1-13(14,10-4-5-10)12(17)16-11-6-2-9(3-7-11)8-20(15,18)19/h2-3,6-7,10H,4-5,8,14H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyNSYOJLZVZWHSAQ-UHFFFAOYSA-N
XLogP0.54
TPSA115.28 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.38
LogP ≤ 50.54
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-2-cyclopropyl-N-[4-(2-hydroxyethyl)phenyl]propanamide
CID 61237343
N-(4-acetamidophenyl)-2-amino-2-cyclopropylpropanamide
CID 60866095
N-[4-[(2-amino-2-cyclopropylpropanoyl)amino]phenyl]cyclopropanecarboxamide
CID 61252070
2-amino-2-cyclopropyl-N-(4-propan-2-ylphenyl)propanamide
CID 60866090
2-amino-2-cyclopropyl-N-(4-methoxyphenyl)propanamide
CID 54925277
2-amino-2-cyclopropyl-N-(3-hydroxy-4-methylphenyl)propanamide
CID 107701447
2-amino-N-(6-bromo-3-pyridinyl)-2-cyclopropylpropanamide
CID 103821261
2-amino-2-cyclopropyl-N-[4-[ethyl(2-hydroxyethyl)amino]phenyl]propanamide
CID 60945791
2-amino-2-cyclopropyl-N-[4-(triazol-2-yl)phenyl]propanamide
CID 60867892
(2S)-3-cyclopentyl-2-methyl-N-[4-(sulfamoylmethyl)phenyl]propanamide
CID 124505456
4-[[4-(sulfamoylmethyl)phenyl]carbamoyl]cyclohexane-1-carboxylic acid
CID 120672451
2-amino-2-cyclopropyl-N-(4-fluoro-3-methylphenyl)propanamide
CID 55118792

Frequently Asked Questions

What is the IUPAC name of 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The IUPAC name of 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide (CID 60867551) is 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide.
What is the SMILES notation for 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The canonical SMILES for 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide is CC(N)(C(=O)Nc1ccc(CS(N)(=O)=O)cc1)C1CC1.
What is the InChIKey of 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
The InChIKey is NSYOJLZVZWHSAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3S/c1-13(14,10-4-5-10)12(17)16-11-6-2-9(3-7-11)8-20(15,18)19/h2-3,6-7,10H,4-5,8,14H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide?
2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide has a molecular weight of 297.38 g/mol, XLogP of 0.54, 5 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2-cyclopropyl-N-[4-(sulfamoylmethyl)phenyl]propanamide is sourced from PubChem (CID 60867551), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).