2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride

C16H25ClN2O3S — CID 119284120

IUPAC2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1cccc(OCC2CCCO2)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22-9-7-15(17)16(19)18-12-4-2-5-13(10-12)21-11-14-6-3-8-20-14;/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19);1H
InChIKeyNTGMJMQHIAOEGV-UHFFFAOYSA-N
MW360.91 g/mol
LogP2.69
Rot. Bonds8

About 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride

2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride (PubChem CID 119284120) has the molecular formula C16H25ClN2O3S and a molecular weight of 360.91 g/mol. Its IUPAC name is 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride.

Molecular Properties

Compound Name2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
PubChem CID119284120
Molecular FormulaC16H25ClN2O3S
Molecular Weight360.91 g/mol
Exact Mass360.13
IUPAC Name2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride
SMILESCSCCC(N)C(=O)Nc1cccc(OCC2CCCO2)c1.Cl
InChIInChI=1S/C16H24N2O3S.ClH/c1-22-9-7-15(17)16(19)18-12-4-2-5-13(10-12)21-11-14-6-3-8-20-14;/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19);1H
InChIKeyNTGMJMQHIAOEGV-UHFFFAOYSA-N
XLogP2.69
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.91
LogP ≤ 52.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(4-methylphenyl)sulfonylamino]-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 43057833
3-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119713717
(2S)-2-amino-N-[3-[(2-methylphenyl)methoxy]phenyl]-4-methylsulfanylbutanamide
CID 119324544
2-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide
CID 119284095
2-(methylamino)-N-[3-(oxolan-2-ylmethoxy)phenyl]acetamide;hydrochloride
CID 119713691
1-cyclopropyl-3-[3-(oxolan-2-ylmethoxy)phenyl]urea
CID 47162446
(2S)-2-amino-N-[3-(difluoromethoxy)phenyl]-4-methylsulfanylbutanamide;hydrochloride
CID 119280795
2-(3-methylphenoxy)-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 17141875
4-amino-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide
CID 119284123
(2S)-2-amino-N-[3-(2-anilino-2-oxoethoxy)phenyl]-4-methylsulfanylbutanamide
CID 119289681
2-amino-3-methoxy-N-[4-(oxolan-2-ylmethoxy)phenyl]propanamide
CID 120986481
3-acetamido-N-[3-(oxolan-2-ylmethoxy)phenyl]benzamide
CID 46802911

Frequently Asked Questions

What is the IUPAC name of 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride?
The IUPAC name of 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride (CID 119284120) is 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride.
What is the SMILES notation for 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride?
The canonical SMILES for 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride is CSCCC(N)C(=O)Nc1cccc(OCC2CCCO2)c1.Cl.
What is the InChIKey of 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride?
The InChIKey is NTGMJMQHIAOEGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3S.ClH/c1-22-9-7-15(17)16(19)18-12-4-2-5-13(10-12)21-11-14-6-3-8-20-14;/h2,4-5,10,14-15H,3,6-9,11,17H2,1H3,(H,18,19);1H.
What are the key properties of 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride?
2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride has a molecular weight of 360.91 g/mol, XLogP of 2.69, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-methylsulfanyl-N-[3-(oxolan-2-ylmethoxy)phenyl]butanamide;hydrochloride is sourced from PubChem (CID 119284120), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).