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

C18H25ClN2O2S — CID 119654931

IUPACN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/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;1H
InChIKeyIEPLDRQSIPLDFO-UHFFFAOYSA-N
MW368.93 g/mol
LogP4.05
Rot. Bonds7

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

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride (PubChem CID 119654931) has the molecular formula C18H25ClN2O2S and a molecular weight of 368.93 g/mol. Its IUPAC name is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
PubChem CID119654931
Molecular FormulaC18H25ClN2O2S
Molecular Weight368.93 g/mol
Exact Mass368.13
IUPAC NameN-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
SMILESCN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1.Cl
InChIInChI=1S/C18H24N2O2S.ClH/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;1H
InChIKeyIEPLDRQSIPLDFO-UHFFFAOYSA-N
XLogP4.05
TPSA59.47 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.93
LogP ≤ 54.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 119654932
N-(3-aminobutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride
CID 119497428
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-amino-2,2-dimethylpropyl)-N,3-dimethyl-1-benzofuran-2-carboxamide;hydrochloride
CID 119656949
N-(3-hydroxybutyl)-3-(phenylsulfanylmethyl)furan-2-carboxamide
CID 111433757
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;hydrochloride?
The IUPAC name of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride (CID 119654931) is N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride.
What is the SMILES notation for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
The canonical SMILES for N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride is CN(CC(C)(C)CN)C(=O)c1occc1CSc1ccccc1.Cl.
What is the InChIKey of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
The InChIKey is IEPLDRQSIPLDFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2S.ClH/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;1H.
What are the key properties of N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride?
N-(3-amino-2,2-dimethylpropyl)-N-methyl-3-(phenylsulfanylmethyl)furan-2-carboxamide;hydrochloride has a molecular weight of 368.93 g/mol, XLogP of 4.05, 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;hydrochloride is sourced from PubChem (CID 119654931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).