N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride

C15H20ClN3O4S — CID 119549161

IUPACN-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCc2ccc(N)cc2)o1.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-23(20,21)18-10-13-6-7-14(22-13)15(19)17-9-8-11-2-4-12(16)5-3-11;/h2-7,18H,8-10,16H2,1H3,(H,17,19);1H
InChIKeySFNNLYQIQZTXCM-UHFFFAOYSA-N
MW373.86 g/mol
LogP1.31
Rot. Bonds7

About N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride

N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119549161) has the molecular formula C15H20ClN3O4S and a molecular weight of 373.86 g/mol. Its IUPAC name is N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
PubChem CID119549161
Molecular FormulaC15H20ClN3O4S
Molecular Weight373.86 g/mol
Exact Mass373.09
IUPAC NameN-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
SMILESCS(=O)(=O)NCc1ccc(C(=O)NCCc2ccc(N)cc2)o1.Cl
InChIInChI=1S/C15H19N3O4S.ClH/c1-23(20,21)18-10-13-6-7-14(22-13)15(19)17-9-8-11-2-4-12(16)5-3-11;/h2-7,18H,8-10,16H2,1H3,(H,17,19);1H
InChIKeySFNNLYQIQZTXCM-UHFFFAOYSA-N
XLogP1.31
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.86
LogP ≤ 51.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
4-amino-N-[2-(4-aminophenyl)ethyl]benzamide
CID 110483115
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
N-[2-(4-aminophenyl)ethyl]-3,5-dimethylfuran-2-carboxamide;hydrochloride
CID 119547985
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633
5-amino-N-[2-(methanesulfonamido)ethyl]-1-benzofuran-2-carboxamide
CID 61095225
tert-butyl N-[[5-[(4-aminophenyl)carbamoyl]furan-2-yl]methyl]carbamate
CID 140688111
N-[2-(4-aminophenyl)ethyl]-4-propylbenzamide
CID 119549241
5-[[2-(methanesulfonamido)ethylamino]methyl]furan-2-carboxylic acid
CID 55203550
N-[2-(4-aminophenyl)ethyl]-2,2-dimethylpropanamide;hydrochloride
CID 119549524

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride (CID 119549161) is N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride is CS(=O)(=O)NCc1ccc(C(=O)NCCc2ccc(N)cc2)o1.Cl.
What is the InChIKey of N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is SFNNLYQIQZTXCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4S.ClH/c1-23(20,21)18-10-13-6-7-14(22-13)15(19)17-9-8-11-2-4-12(16)5-3-11;/h2-7,18H,8-10,16H2,1H3,(H,17,19);1H.
What are the key properties of N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride?
N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 373.86 g/mol, XLogP of 1.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119549161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).