N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide

C14H20N2O3S — CID 47189594

IUPACN-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCC1CC1CNC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(10)9-16-14(17)7-4-11-2-5-13(6-3-11)20(15,18)19/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXFUGTODMSYRNNU-UHFFFAOYSA-N
MW296.39 g/mol
LogP1.04
Rot. Bonds6

About N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide

N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide (PubChem CID 47189594) has the molecular formula C14H20N2O3S and a molecular weight of 296.39 g/mol. Its IUPAC name is N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide.

Molecular Properties

Compound NameN-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
PubChem CID47189594
Molecular FormulaC14H20N2O3S
Molecular Weight296.39 g/mol
Exact Mass296.12
IUPAC NameN-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide
SMILESCC1CC1CNC(=O)CCc1ccc(S(N)(=O)=O)cc1
InChIInChI=1S/C14H20N2O3S/c1-10-8-12(10)9-16-14(17)7-4-11-2-5-13(6-3-11)20(15,18)19/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,17)(H2,15,18,19)
InChIKeyXFUGTODMSYRNNU-UHFFFAOYSA-N
XLogP1.04
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-ethyl-3-(4-sulfamoylphenyl)propanamide
CID 47109333
N-[(1,1-dioxothiolan-3-yl)methyl]-3-(4-sulfamoylphenyl)propanamide
CID 47023694
N-(2-cyclopropylpropyl)-3-(4-sulfamoylphenyl)propanamide
CID 115591226
N-(3-methylbutyl)-3-(4-sulfamoylphenyl)propanamide
CID 60651835
3-(3,5-dimethylphenyl)-N-[(4-sulfamoylphenyl)methyl]propanamide
CID 50971111
3-(3,5-dimethylpiperidin-1-yl)-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 46685647
trans-[2-oxo-2-[2-(4-sulfamoylphenyl)ethylamino]ethyl] (1S,2S)-2-methylcyclopropane-1-carboxylate
CID 8019903
2-(4-aminophenyl)-N-[(2-methylcyclopropyl)methyl]acetamide
CID 115597585
N-[2-[(4-methylphenyl)sulfonylamino]ethyl]-3-(4-sulfamoylphenyl)propanamide
CID 33426034
3-amino-N-[2-(4-sulfamoylphenyl)ethyl]propanamide
CID 10707262
N-(4-propylphenyl)-3-(4-sulfamoylphenyl)propanamide
CID 24571120
4-methyl-N-[2-(4-sulfamoylphenyl)ethyl]pentanamide
CID 35156747

Frequently Asked Questions

What is the IUPAC name of N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The IUPAC name of N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide (CID 47189594) is N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide.
What is the SMILES notation for N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The canonical SMILES for N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide is CC1CC1CNC(=O)CCc1ccc(S(N)(=O)=O)cc1.
What is the InChIKey of N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide?
The InChIKey is XFUGTODMSYRNNU-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H20N2O3S/c1-10-8-12(10)9-16-14(17)7-4-11-2-5-13(6-3-11)20(15,18)19/h2-3,5-6,10,12H,4,7-9H2,1H3,(H,16,17)(H2,15,18,19).
What are the key properties of N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide?
N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide has a molecular weight of 296.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-methylcyclopropyl)methyl]-3-(4-sulfamoylphenyl)propanamide is sourced from PubChem (CID 47189594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).