N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide

C16H27N3O4S — CID 119465681

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C16H27N3O4S/c1-12(2)7-10-23-13(3)16(20)19-14-5-4-6-15(11-14)24(21,22)18-9-8-17/h4-6,11-13,18H,7-10,17H2,1-3H3,(H,19,20)
InChIKeyQPNYWCQPKNXZFO-UHFFFAOYSA-N
MW357.48 g/mol
LogP1.31
Rot. Bonds10

About N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide (PubChem CID 119465681) has the molecular formula C16H27N3O4S and a molecular weight of 357.48 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
PubChem CID119465681
Molecular FormulaC16H27N3O4S
Molecular Weight357.48 g/mol
Exact Mass357.17
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide
SMILESCC(C)CCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C16H27N3O4S/c1-12(2)7-10-23-13(3)16(20)19-14-5-4-6-15(11-14)24(21,22)18-9-8-17/h4-6,11-13,18H,7-10,17H2,1-3H3,(H,19,20)
InChIKeyQPNYWCQPKNXZFO-UHFFFAOYSA-N
XLogP1.31
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxypropanamide
CID 119466051
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(4-methoxyphenoxy)propanamide
CID 119465897
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethylhexanamide
CID 119465207
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methylhexanamide;hydrochloride
CID 119465624
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methyl-2-(2-oxopyrrolidin-1-yl)butanamide
CID 119465925
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methyl-3-[3-(trifluoromethyl)phenyl]propanamide
CID 91645307
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-fluorophenoxy)butanamide;hydrochloride
CID 119466096
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-methylphenoxy)butanamide;hydrochloride
CID 119466092
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide (CID 119465681) is N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide is CC(C)CCOC(C)C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide?
The InChIKey is QPNYWCQPKNXZFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H27N3O4S/c1-12(2)7-10-23-13(3)16(20)19-14-5-4-6-15(11-14)24(21,22)18-9-8-17/h4-6,11-13,18H,7-10,17H2,1-3H3,(H,19,20).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide has a molecular weight of 357.48 g/mol, XLogP of 1.31, 10 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(3-methylbutoxy)propanamide is sourced from PubChem (CID 119465681), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).