N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide

C15H19N3O4S — CID 120885066

IUPACN-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C15H19N3O4S/c16-9-11-18(10-8-12-4-2-1-3-5-12)15(19)13-6-7-14(22-13)23(17,20)21/h1-7H,8-11,16H2,(H2,17,20,21)
InChIKeyQPOOYQWNBQKIBW-UHFFFAOYSA-N
MW337.40 g/mol
LogP0.57
Rot. Bonds7

About N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide

N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide (PubChem CID 120885066) has the molecular formula C15H19N3O4S and a molecular weight of 337.40 g/mol. Its IUPAC name is N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
PubChem CID120885066
Molecular FormulaC15H19N3O4S
Molecular Weight337.40 g/mol
Exact Mass337.11
IUPAC NameN-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide
SMILESNCCN(CCc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)o1
InChIInChI=1S/C15H19N3O4S/c16-9-11-18(10-8-12-4-2-1-3-5-12)15(19)13-6-7-14(22-13)23(17,20)21/h1-7H,8-11,16H2,(H2,17,20,21)
InChIKeyQPOOYQWNBQKIBW-UHFFFAOYSA-N
XLogP0.57
TPSA119.63 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.40
LogP ≤ 50.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-aminoethyl)-5-(methoxymethyl)-N-(2-phenylethyl)furan-2-carboxamide
CID 120885996
N-(2-aminoethyl)-5-chloro-N-(2-phenylethyl)thiophene-2-carboxamide
CID 120885512
N-(2-aminoethyl)-2-(4-chlorophenyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120887035
2-N-(2-aminoethyl)-2-N-(2-phenylethyl)thiophene-2,5-dicarboxamide
CID 120886240
4-acetyl-N-(2-aminoethyl)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120885633
N-(2-aminoethyl)-3-methyl-N-(2-phenylethyl)furan-2-carboxamide;hydrochloride
CID 120885291
N-(2-aminoethyl)-2-(methylsulfamoyl)-N-(2-phenylethyl)acetamide;hydrochloride
CID 120884697
N-(2-aminoethyl)-4-(methylsulfamoyl)-N-(2-phenylethyl)benzamide
CID 120886326
N-(2-aminoethyl)-N-(2-phenylethyl)propanamide
CID 120884412
N-(2-aminoethyl)-4-(methanesulfonamido)-N-(2-phenylethyl)benzamide;hydrochloride
CID 120884759
N-(2-aminoethyl)-2,5-dimethyl-N-(2-phenylethyl)furan-3-carboxamide;hydrochloride
CID 120886169
N-(2-aminoethyl)-5-[(1-methylimidazol-2-yl)sulfanylmethyl]-N-(2-phenylethyl)furan-2-carboxamide
CID 120886036

Frequently Asked Questions

What is the IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide?
The IUPAC name of N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide (CID 120885066) is N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide.
What is the SMILES notation for N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide?
The canonical SMILES for N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide is NCCN(CCc1ccccc1)C(=O)c1ccc(S(N)(=O)=O)o1.
What is the InChIKey of N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide?
The InChIKey is QPOOYQWNBQKIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S/c16-9-11-18(10-8-12-4-2-1-3-5-12)15(19)13-6-7-14(22-13)23(17,20)21/h1-7H,8-11,16H2,(H2,17,20,21).
What are the key properties of N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide?
N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide has a molecular weight of 337.40 g/mol, XLogP of 0.57, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-aminoethyl)-N-(2-phenylethyl)-5-sulfamoylfuran-2-carboxamide is sourced from PubChem (CID 120885066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).