3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid

C17H20N4O7S — CID 23398260

IUPAC3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid
SMILESNCCNC(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)o1
InChIInChI=1S/C17H20N4O7S/c18-8-9-19-15(22)13-6-7-14(28-13)16(23)20-10-12(17(24)25)21-29(26,27)11-4-2-1-3-5-11/h1-7,12,21H,8-10,18H2,(H,19,22)(H,20,23)(H,24,25)
InChIKeyANDNHIWZZMSZPS-UHFFFAOYSA-N
MW424.44 g/mol
LogP-0.87
Rot. Bonds10

About 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid

3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid (PubChem CID 23398260) has the molecular formula C17H20N4O7S and a molecular weight of 424.44 g/mol. Its IUPAC name is 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid.

Molecular Properties

Compound Name3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid
PubChem CID23398260
Molecular FormulaC17H20N4O7S
Molecular Weight424.44 g/mol
Exact Mass424.11
IUPAC Name3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid
SMILESNCCNC(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)o1
InChIInChI=1S/C17H20N4O7S/c18-8-9-19-15(22)13-6-7-14(28-13)16(23)20-10-12(17(24)25)21-29(26,27)11-4-2-1-3-5-11/h1-7,12,21H,8-10,18H2,(H,19,22)(H,20,23)(H,24,25)
InChIKeyANDNHIWZZMSZPS-UHFFFAOYSA-N
XLogP-0.87
TPSA180.83 Ų
H-Bond Donors5
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.44
LogP ≤ 5-0.87
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 107

Analyze 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid with MolForge

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Related Compounds

2-(benzenesulfonamido)-3-[[4-[2-(1H-imidazol-2-yl)ethyl]benzoyl]amino]propanoic acid
CID 67696619
2-(benzenesulfonamido)-3-[3-[(4-carbamimidoylbenzoyl)amino]propanoylamino]propanoic acid
CID 18794035
4-amino-2-[(4-phenylphenyl)sulfonylamino]butanoic acid
CID 58279902
(2S)-3-(carbamoylamino)-2-[(4-methylphenyl)sulfonylamino]propanoic acid
CID 36688296
2-(benzenesulfonamido)-3-[[2-[(2-methylpropan-2-yl)oxycarbonylamino]acetyl]amino]propanoic acid
CID 67601329
(2S)-2-(benzenesulfonamido)-3-[3-[4-(diaminomethylideneamino)butanoylamino]propanoylamino]propanoic acid
CID 10203754
2-(benzenesulfonamido)-3-[3-[4-(diaminomethylideneamino)butanoylamino]propanoylamino]propanoic acid
CID 20579617
tert-butyl 3-benzamido-2-(benzenesulfonamido)propanoate
CID 67590480
(2S)-3-[[7-(2-aminoethoxy)-4-oxoquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid
CID 56622178
3-(pyridin-2-ylamino)propyl 2-(benzenesulfonamido)-3-(1,2-oxazole-5-carbonylamino)propanoate
CID 67649728
(2S)-3-[[7-(aminomethyl)-4-oxo-6,7,8,9-tetrahydroquinolizine-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid
CID 59100124
3-amino-2-[(4-chlorophenyl)sulfonylamino]propanoic acid
CID 18328781

Frequently Asked Questions

What is the IUPAC name of 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid?
The IUPAC name of 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid (CID 23398260) is 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid.
What is the SMILES notation for 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid?
The canonical SMILES for 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid is NCCNC(=O)c1ccc(C(=O)NCC(NS(=O)(=O)c2ccccc2)C(=O)O)o1.
What is the InChIKey of 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid?
The InChIKey is ANDNHIWZZMSZPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O7S/c18-8-9-19-15(22)13-6-7-14(28-13)16(23)20-10-12(17(24)25)21-29(26,27)11-4-2-1-3-5-11/h1-7,12,21H,8-10,18H2,(H,19,22)(H,20,23)(H,24,25).
What are the key properties of 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid?
3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid has a molecular weight of 424.44 g/mol, XLogP of -0.87, 10 rotatable bonds, 5 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-(2-aminoethylcarbamoyl)furan-2-carbonyl]amino]-2-(benzenesulfonamido)propanoic acid is sourced from PubChem (CID 23398260), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).