N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide

C14H25N3O4S — CID 119660341

IUPACN-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C14H25N3O4S/c1-10(2)12(15)7-8-17(3)14(18)13-6-5-11(21-13)9-16-22(4,19)20/h5-6,10,12,16H,7-9,15H2,1-4H3
InChIKeyBZHMBNNYIIKRAA-UHFFFAOYSA-N
MW331.44 g/mol
LogP0.77
Rot. Bonds8

About N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide

N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide (PubChem CID 119660341) has the molecular formula C14H25N3O4S and a molecular weight of 331.44 g/mol. Its IUPAC name is N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
PubChem CID119660341
Molecular FormulaC14H25N3O4S
Molecular Weight331.44 g/mol
Exact Mass331.16
IUPAC NameN-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide
SMILESCC(C)C(N)CCN(C)C(=O)c1ccc(CNS(C)(=O)=O)o1
InChIInChI=1S/C14H25N3O4S/c1-10(2)12(15)7-8-17(3)14(18)13-6-5-11(21-13)9-16-22(4,19)20/h5-6,10,12,16H,7-9,15H2,1-4H3
InChIKeyBZHMBNNYIIKRAA-UHFFFAOYSA-N
XLogP0.77
TPSA105.64 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.44
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-(3-amino-4-methylpentyl)-N-methyl-5-(methylsulfamoyl)furan-2-carboxamide;hydrochloride
CID 119661236
N-(3-amino-4-methylpentyl)-N-methyl-5-methylsulfanylfuran-2-carboxamide;hydrochloride
CID 119658758
N-(3-amino-4-methylpentyl)-N-methyl-5-nitrofuran-2-carboxamide;hydrochloride
CID 119658346
2-[4-[[[5-(methanesulfonamidomethyl)furan-2-carbonyl]-methylamino]methyl]phenoxy]acetic acid
CID 120538100
N-(3-amino-4-methylpentyl)-3-(methanesulfonamido)-N,4-dimethylbenzamide
CID 119659045
N-(3-amino-4-methylpentyl)-5-(2-chlorophenyl)-N-methylfuran-2-carboxamide
CID 119658454
(2R)-2-[[5-(methanesulfonamidomethyl)furan-2-carbonyl]amino]-3-methylbutanoic acid
CID 119369372
N-(3-amino-4-methylpentyl)-2-(methanesulfonamido)-N-methylbenzamide;hydrochloride
CID 119657352
N-(3-amino-4-methylpentyl)-4-ethyl-N-methylbenzamide;hydrochloride
CID 119657274
5-(methoxymethyl)-N-methyl-N-(3-methylbutyl)furan-2-carboxamide
CID 78853341
N-(2-amino-2-ethylbutyl)-5-(methanesulfonamidomethyl)furan-2-carboxamide
CID 119642867
2-acetyl-N-(3-amino-4-methylpentyl)-N-methylbenzamide
CID 119657379

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide?
The IUPAC name of N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide (CID 119660341) is N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide.
What is the SMILES notation for N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide?
The canonical SMILES for N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide is CC(C)C(N)CCN(C)C(=O)c1ccc(CNS(C)(=O)=O)o1.
What is the InChIKey of N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide?
The InChIKey is BZHMBNNYIIKRAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H25N3O4S/c1-10(2)12(15)7-8-17(3)14(18)13-6-5-11(21-13)9-16-22(4,19)20/h5-6,10,12,16H,7-9,15H2,1-4H3.
What are the key properties of N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide?
N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide has a molecular weight of 331.44 g/mol, XLogP of 0.77, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-4-methylpentyl)-5-(methanesulfonamidomethyl)-N-methylfuran-2-carboxamide is sourced from PubChem (CID 119660341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).