N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide

C13H23N3O4S — CID 119642867

IUPACN-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C13H23N3O4S/c1-4-13(14,5-2)9-15-12(17)11-7-6-10(20-11)8-16-21(3,18)19/h6-7,16H,4-5,8-9,14H2,1-3H3,(H,15,17)
InChIKeyBDYIQMIQCGILJN-UHFFFAOYSA-N
MW317.41 g/mol
LogP0.58
Rot. Bonds8

About N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide

N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide (PubChem CID 119642867) has the molecular formula C13H23N3O4S and a molecular weight of 317.41 g/mol. Its IUPAC name is N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
PubChem CID119642867
Molecular FormulaC13H23N3O4S
Molecular Weight317.41 g/mol
Exact Mass317.14
IUPAC NameN-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
SMILESCCC(N)(CC)CNC(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C13H23N3O4S/c1-4-13(14,5-2)9-15-12(17)11-7-6-10(20-11)8-16-21(3,18)19/h6-7,16H,4-5,8-9,14H2,1-3H3,(H,15,17)
InChIKeyBDYIQMIQCGILJN-UHFFFAOYSA-N
XLogP0.58
TPSA114.43 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500317.41
LogP ≤ 50.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-2-methylbutanoic acid
CID 120518633
N-[2-(4-aminophenyl)ethyl]-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119549161
6-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]hexanoic acid
CID 119352313
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
N-(1-aminohexan-2-yl)-5-(methanesulfonamidomethyl)furan-2-carboxamide;hydrochloride
CID 119667798
N-(2-amino-2-ethylbutyl)-5-(4-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119643079
5-(methanesulfonamidomethyl)-N-(1-thiophen-2-ylpropan-2-yl)furan-2-carboxamide
CID 75377815
5-(aminomethyl)-N-(2-ethyl-2-methylsulfanylbutyl)furan-2-carboxamide
CID 103812551
N-(2-amino-2-ethylbutyl)-5-(2-fluorophenyl)furan-2-carboxamide;hydrochloride
CID 119640271
2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-4-[(2-methylpropan-2-yl)oxy]butanoic acid
CID 120533805
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
CID 119660341
N-(2-amino-2-ethylbutyl)-2-(4-aminophenyl)acetamide
CID 122080857

Frequently Asked Questions

What is the IUPAC name of N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide?
The IUPAC name of N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide (CID 119642867) is N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide.
What is the SMILES notation for N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide?
The canonical SMILES for N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide is CCC(N)(CC)CNC(=O)c1ccc(CNS(C)(=O)=O)o1.
What is the InChIKey of N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide?
The InChIKey is BDYIQMIQCGILJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H23N3O4S/c1-4-13(14,5-2)9-15-12(17)11-7-6-10(20-11)8-16-21(3,18)19/h6-7,16H,4-5,8-9,14H2,1-3H3,(H,15,17).
What are the key properties of N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide?
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide has a molecular weight of 317.41 g/mol, XLogP of 0.58, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide is sourced from PubChem (CID 119642867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).