N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide

C18H24N2O2S — CID 119654932

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-18(2,12-19)13-20(3)17(21)16-14(9-10-22-16)11-23-15-7-5-4-6-8-15/h4-10H,11-13,19H2,1-3H3
InChIKeyJNYZXYUANOZQJQ-UHFFFAOYSA-N
MW332.47 g/mol
LogP3.63
Rot. Bonds7

About N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide (PubChem CID 119654932) has the molecular formula C18H24N2O2S and a molecular weight of 332.47 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
PubChem CID119654932
Molecular FormulaC18H24N2O2S
Molecular Weight332.47 g/mol
Exact Mass332.16
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
SMILESCN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1
InChIInChI=1S/C18H24N2O2S/c1-18(2,12-19)13-20(3)17(21)16-14(9-10-22-16)11-23-15-7-5-4-6-8-15/h4-10H,11-13,19H2,1-3H3
InChIKeyJNYZXYUANOZQJQ-UHFFFAOYSA-N
XLogP3.63
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 53.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-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-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119654931
N-[(3-methoxyphenyl)methyl]-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78829783
N-ethyl-N-(2-hydroxyethyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 110886564
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N-(3-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119656949
N-[3-(dimethylcarbamoyl)phenyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134046258
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
2-methyl-2-phenyl-1-[4-[3-(phenylsulfanylmethyl)furan-2-carbonyl]piperazin-1-yl]propan-1-one
CID 78848643
N-(3-amino-2,2-dimethylpropyl)-N-methyl-2-propan-2-ylsulfanylbenzamide
CID 119655514
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
N-(3-amino-2,2-dimethylpropyl)-N,2-dimethylbenzamide
CID 79652872

Frequently Asked Questions

What is the IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide (CID 119654932) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide is CN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
The InChIKey is JNYZXYUANOZQJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S/c1-18(2,12-19)13-20(3)17(21)16-14(9-10-22-16)11-23-15-7-5-4-6-8-15/h4-10H,11-13,19H2,1-3H3.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide has a molecular weight of 332.47 g/mol, XLogP of 3.63, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide is sourced from PubChem (CID 119654932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).