2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide

C13H19N3O4S — CID 103520061

IUPAC2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
SMILESCOC1(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H19N3O4S/c1-20-13(6-3-7-13)9-12(17)15-10-4-2-5-11(8-10)16-21(14,18)19/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyLFXYPCYWTPXUKA-UHFFFAOYSA-N
MW313.38 g/mol
LogP1.20
Rot. Bonds6

About 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide

2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide (PubChem CID 103520061) has the molecular formula C13H19N3O4S and a molecular weight of 313.38 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
PubChem CID103520061
Molecular FormulaC13H19N3O4S
Molecular Weight313.38 g/mol
Exact Mass313.11
IUPAC Name2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide
SMILESCOC1(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1
InChIInChI=1S/C13H19N3O4S/c1-20-13(6-3-7-13)9-12(17)15-10-4-2-5-11(8-10)16-21(14,18)19/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19)
InChIKeyLFXYPCYWTPXUKA-UHFFFAOYSA-N
XLogP1.20
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.38
LogP ≤ 51.20
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

3-oxo-N-[3-(sulfamoylamino)phenyl]butanamide
CID 61250335
N-[3-[cyclohexyl(methyl)sulfamoyl]phenyl]-2-(1-methoxycyclobutyl)acetamide
CID 119047580
1-(aminomethyl)-N-[3-(sulfamoylamino)phenyl]cyclobutane-1-carboxamide
CID 115447728
N-(3-fluoro-4-hydroxyphenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103557015
2-(oxolan-2-yl)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 47211352
N-(3,4-dicyanophenyl)-2-(1-methoxycyclobutyl)acetamide
CID 103522079
2-(2-aminoethoxy)-N-[3-(sulfamoylamino)phenyl]acetamide
CID 79473135
2-methoxy-4-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoic acid
CID 107208665
2-cyclopent-2-en-1-yl-N-[3-(sulfamoylamino)phenyl]acetamide
CID 60728386
5-bromo-N-[3-(sulfamoylamino)phenyl]pentanamide
CID 107908922
1-[3-[[2-(1-methoxycyclobutyl)acetyl]amino]benzoyl]piperidine-2-carboxylic acid
CID 120687704
2-(1-aminocyclobutyl)-N-(3-sulfamoylphenyl)acetamide
CID 79851568

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide?
The IUPAC name of 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide (CID 103520061) is 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide?
The canonical SMILES for 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide is COC1(CC(=O)Nc2cccc(NS(N)(=O)=O)c2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide?
The InChIKey is LFXYPCYWTPXUKA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O4S/c1-20-13(6-3-7-13)9-12(17)15-10-4-2-5-11(8-10)16-21(14,18)19/h2,4-5,8,16H,3,6-7,9H2,1H3,(H,15,17)(H2,14,18,19).
What are the key properties of 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide?
2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide has a molecular weight of 313.38 g/mol, XLogP of 1.20, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-N-[3-(sulfamoylamino)phenyl]acetamide is sourced from PubChem (CID 103520061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).