N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride

C16H21ClN2O2S — CID 119497428

IUPACN-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1occc1CSc1ccccc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12(17)7-9-18-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14;/h2-6,8,10,12H,7,9,11,17H2,1H3,(H,18,19);1H
InChIKeyHVJWYKVRLTZLTM-UHFFFAOYSA-N
MW340.88 g/mol
LogP3.46
Rot. Bonds7

About N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride

N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119497428) has the molecular formula C16H21ClN2O2S and a molecular weight of 340.88 g/mol. Its IUPAC name is N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
PubChem CID119497428
Molecular FormulaC16H21ClN2O2S
Molecular Weight340.88 g/mol
Exact Mass340.10
IUPAC NameN-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
SMILESCC(N)CCNC(=O)c1occc1CSc1ccccc1.Cl
InChIInChI=1S/C16H20N2O2S.ClH/c1-12(17)7-9-18-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14;/h2-6,8,10,12H,7,9,11,17H2,1H3,(H,18,19);1H
InChIKeyHVJWYKVRLTZLTM-UHFFFAOYSA-N
XLogP3.46
TPSA68.26 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.88
LogP ≤ 53.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
N'-(2-methylpropanoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78830024
N-(3-aminobutyl)-3-bromofuran-2-carboxamide;hydrochloride
CID 119497771
N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78842505
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119654931
N-[2-(1-phenylpyrazol-4-yl)ethyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 134000854
N-[(2,3-dimethoxyphenyl)methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78851820
N-[[3-(methylcarbamoyl)phenyl]methyl]-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 78853234
N-(3-aminobutyl)-2-phenylsulfanylacetamide
CID 63253683
3-(phenylsulfanylmethyl)-N-(pyrrolidin-2-ylmethyl)furan-2-carboxamide
CID 119512463
4-[[[3-(phenylsulfanylmethyl)furan-2-carbonyl]amino]methyl]oxane-4-carboxylic acid
CID 120542092
N'-(4-bromobenzoyl)-3-(phenylsulfanylmethyl)furan-2-carbohydrazide
CID 78829710

Frequently Asked Questions

What is the IUPAC name of N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
The IUPAC name of N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride (CID 119497428) is N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride is CC(N)CCNC(=O)c1occc1CSc1ccccc1.Cl.
What is the InChIKey of N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is HVJWYKVRLTZLTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O2S.ClH/c1-12(17)7-9-18-16(19)15-13(8-10-20-15)11-21-14-5-3-2-4-6-14;/h2-6,8,10,12H,7,9,11,17H2,1H3,(H,18,19);1H.
What are the key properties of N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 340.88 g/mol, XLogP of 3.46, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride is sourced from PubChem (CID 119497428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).