N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide

C16H20N2O2S — CID 120649558

IUPACN-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1
InChIInChI=1S/C16H20N2O2S/c1-21-15-9-8-14(20-15)16(19)18(11-5-10-17)12-13-6-3-2-4-7-13/h2-4,6-9H,5,10-12,17H2,1H3
InChIKeyMOIOVDLNGCFXQV-UHFFFAOYSA-N
MW304.42 g/mol
LogP2.99
Rot. Bonds7

About N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide

N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide (PubChem CID 120649558) has the molecular formula C16H20N2O2S and a molecular weight of 304.42 g/mol. Its IUPAC name is N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide.

Molecular Properties

Compound NameN-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
PubChem CID120649558
Molecular FormulaC16H20N2O2S
Molecular Weight304.42 g/mol
Exact Mass304.12
IUPAC NameN-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide
SMILESCSc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1
InChIInChI=1S/C16H20N2O2S/c1-21-15-9-8-14(20-15)16(19)18(11-5-10-17)12-13-6-3-2-4-7-13/h2-4,6-9H,5,10-12,17H2,1H3
InChIKeyMOIOVDLNGCFXQV-UHFFFAOYSA-N
XLogP2.99
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.42
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-aminopropyl)-N-benzyl-5-bromofuran-2-carboxamide
CID 107365854
2-[(5-methylsulfanylfuran-2-carbonyl)-(2-phenylethyl)amino]acetic acid
CID 119347151
N-(3-aminopropyl)-N-benzyl-2-methylsulfanylacetamide
CID 107366128
N-(3-aminopropyl)-N-benzyl-4-methylbenzamide
CID 107365954
N-(3-aminopropyl)-N-benzyl-2-methyl-5-methylsulfanylbenzamide
CID 120648399
N-(3-aminopropyl)-N-benzyl-5-[(1-methylimidazol-2-yl)sulfanylmethyl]furan-2-carboxamide
CID 120649588
N-(3-aminopropyl)-N-benzyl-2,5-dimethylfuran-3-carboxamide
CID 107366158
1-(3-aminopropyl)-1-benzyl-3,3-dimethylurea
CID 107366332
N-(3-aminopropyl)-N-benzyl-4-(methoxymethyl)benzamide
CID 120649040
N-(3-aminopropyl)-N-benzyl-5-ethylthiophene-2-carboxamide
CID 107365501
N-(3-aminopropyl)-N-benzyl-2-methyl-4-nitrobenzamide;hydrochloride
CID 120649298
N-(3-aminopropyl)-N-benzyl-2-tert-butylsulfanylacetamide
CID 107365756

Frequently Asked Questions

What is the IUPAC name of N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide?
The IUPAC name of N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide (CID 120649558) is N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide.
What is the SMILES notation for N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide?
The canonical SMILES for N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide is CSc1ccc(C(=O)N(CCCN)Cc2ccccc2)o1.
What is the InChIKey of N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide?
The InChIKey is MOIOVDLNGCFXQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S/c1-21-15-9-8-14(20-15)16(19)18(11-5-10-17)12-13-6-3-2-4-7-13/h2-4,6-9H,5,10-12,17H2,1H3.
What are the key properties of N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide?
N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide has a molecular weight of 304.42 g/mol, XLogP of 2.99, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminopropyl)-N-benzyl-5-methylsulfanylfuran-2-carboxamide is sourced from PubChem (CID 120649558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).