2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide

C13H18N2O3S — CID 79506370

IUPAC2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1cccc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-9(11-5-6-11)13(16)15-8-10-3-2-4-12(7-10)19(14,17)18/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyIPFLPZPDQVIKJP-UHFFFAOYSA-N
MW282.37 g/mol
LogP1.00
Rot. Bonds5

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

2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide (PubChem CID 79506370) has the molecular formula C13H18N2O3S and a molecular weight of 282.37 g/mol. Its IUPAC name is 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide.

Molecular Properties

Compound Name2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
PubChem CID79506370
Molecular FormulaC13H18N2O3S
Molecular Weight282.37 g/mol
Exact Mass282.10
IUPAC Name2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide
SMILESCC(C(=O)NCc1cccc(S(N)(=O)=O)c1)C1CC1
InChIInChI=1S/C13H18N2O3S/c1-9(11-5-6-11)13(16)15-8-10-3-2-4-12(7-10)19(14,17)18/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)(H2,14,17,18)
InChIKeyIPFLPZPDQVIKJP-UHFFFAOYSA-N
XLogP1.00
TPSA89.26 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.37
LogP ≤ 51.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

2-(methylamino)-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 62638953
5-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]pentanamide
CID 104684174
3-amino-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731394
N-[(3-sulfamoylphenyl)methyl]piperidine-4-carboxamide
CID 60857668
(2S)-2-amino-4-methylsulfanyl-N-[(3-sulfamoylphenyl)methyl]butanamide
CID 61180691
N-[(3-sulfamoylphenyl)methyl]cyclopent-3-ene-1-carboxamide
CID 64766763
2-(cyclopropylmethylamino)-N-[(3-sulfamoylphenyl)methyl]acetamide
CID 60859149
3-piperidin-3-yl-N-[(3-sulfamoylphenyl)methyl]butanamide;hydrochloride
CID 119731383
2-amino-2-methyl-N-[(3-sulfamoylphenyl)methyl]propanamide
CID 61265020
N-[(3-sulfamoylphenyl)methyl]pyrrolidine-3-carboxamide
CID 55150240
N-[(3-sulfamoylphenyl)methyl]azepane-2-carboxamide
CID 64562054
1-[(2R)-2-benzyl-3-methylbutyl]-3-[(3-sulfamoylphenyl)methyl]urea
CID 124732637

Frequently Asked Questions

What is the IUPAC name of 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The IUPAC name of 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide (CID 79506370) is 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide.
What is the SMILES notation for 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The canonical SMILES for 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide is CC(C(=O)NCc1cccc(S(N)(=O)=O)c1)C1CC1.
What is the InChIKey of 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
The InChIKey is IPFLPZPDQVIKJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N2O3S/c1-9(11-5-6-11)13(16)15-8-10-3-2-4-12(7-10)19(14,17)18/h2-4,7,9,11H,5-6,8H2,1H3,(H,15,16)(H2,14,17,18).
What are the key properties of 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide?
2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide has a molecular weight of 282.37 g/mol, XLogP of 1.00, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyclopropyl-N-[(3-sulfamoylphenyl)methyl]propanamide is sourced from PubChem (CID 79506370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).