N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide

C15H19N3O4S2 — CID 119465959

IUPACN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H19N3O4S2/c1-10-8-13(22-2)14(23-10)15(19)18-11-4-3-5-12(9-11)24(20,21)17-7-6-16/h3-5,8-9,17H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyQPXYXXQMXHYTGE-UHFFFAOYSA-N
MW369.47 g/mol
LogP1.55
Rot. Bonds7

About N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide

N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide (PubChem CID 119465959) has the molecular formula C15H19N3O4S2 and a molecular weight of 369.47 g/mol. Its IUPAC name is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
PubChem CID119465959
Molecular FormulaC15H19N3O4S2
Molecular Weight369.47 g/mol
Exact Mass369.08
IUPAC NameN-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide
SMILESCOc1cc(C)sc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1
InChIInChI=1S/C15H19N3O4S2/c1-10-8-13(22-2)14(23-10)15(19)18-11-4-3-5-12(9-11)24(20,21)17-7-6-16/h3-5,8-9,17H,6-7,16H2,1-2H3,(H,18,19)
InChIKeyQPXYXXQMXHYTGE-UHFFFAOYSA-N
XLogP1.55
TPSA110.52 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.47
LogP ≤ 51.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(2-aminoethylsulfamoyl)phenyl]-2-methoxyacetamide
CID 119465555
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]-4-tert-butyl-1,3-thiazole-5-carboxamide;dihydrochloride
CID 119465520
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(2,5-dimethylthiophen-3-yl)butanamide;hydrochloride
CID 119466086
N-[3-(2-aminoethylsulfamoyl)phenyl]-4,5,6,7-tetrahydro-1-benzothiophene-2-carboxamide
CID 119466003
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-ethoxypropanamide
CID 119465913
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-propoxybenzamide;hydrochloride
CID 119465892
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-(2-ethoxyphenoxy)acetamide;hydrochloride
CID 119465426
N-[3-(2-aminoethylsulfamoyl)phenyl]-4-(ethylsulfanylmethyl)benzamide
CID 119465571
N-[3-(2-aminoethylsulfamoyl)phenyl]-3,4-dimethylpentanamide;hydrochloride
CID 119466058
N-[3-(2-aminoethylsulfamoyl)phenyl]-2-pentylsulfonylacetamide;hydrochloride
CID 119465372

Frequently Asked Questions

What is the IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The IUPAC name of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide (CID 119465959) is N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The canonical SMILES for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide is COc1cc(C)sc1C(=O)Nc1cccc(S(=O)(=O)NCCN)c1.
What is the InChIKey of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide?
The InChIKey is QPXYXXQMXHYTGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S2/c1-10-8-13(22-2)14(23-10)15(19)18-11-4-3-5-12(9-11)24(20,21)17-7-6-16/h3-5,8-9,17H,6-7,16H2,1-2H3,(H,18,19).
What are the key properties of N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide?
N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide has a molecular weight of 369.47 g/mol, XLogP of 1.55, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(2-aminoethylsulfamoyl)phenyl]-3-methoxy-5-methylthiophene-2-carboxamide is sourced from PubChem (CID 119465959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).