3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride

C18H25ClN2O3S — CID 69259612

IUPAC3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride
SMILESCOc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)s1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-12(2)8-9-20-11-14-5-7-17(24-14)23-15-6-4-13(18(19)21)10-16(15)22-3;/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,19,21);1H
InChIKeyYOGGWXAWABRVSP-UHFFFAOYSA-N
MW384.93 g/mol
LogP4.21
Rot. Bonds9

About 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride

3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride (PubChem CID 69259612) has the molecular formula C18H25ClN2O3S and a molecular weight of 384.93 g/mol. Its IUPAC name is 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride.

Molecular Properties

Compound Name3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride
PubChem CID69259612
Molecular FormulaC18H25ClN2O3S
Molecular Weight384.93 g/mol
Exact Mass384.13
IUPAC Name3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride
SMILESCOc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)s1.Cl
InChIInChI=1S/C18H24N2O3S.ClH/c1-12(2)8-9-20-11-14-5-7-17(24-14)23-15-6-4-13(18(19)21)10-16(15)22-3;/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,19,21);1H
InChIKeyYOGGWXAWABRVSP-UHFFFAOYSA-N
XLogP4.21
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.93
LogP ≤ 54.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

3-methoxy-4-[[5-[(3-methylbutylamino)methyl]-2-pyridinyl]oxy]benzamide
CID 142891069
3-bromo-4-[4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730206
4-[2-chloro-4-[(3-methylbutylamino)methyl]phenoxy]benzamide
CID 59730026
(5-carbamoyl-2-methoxyphenyl) methyl carbonate
CID 122661696
4-bromobenzamide;4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]benzamide;2,2,2-trifluoroacetic acid
CID 67159974
5-[(4-carbamoyl-2-methoxyphenoxy)methyl]thiophene-2-carboxylic acid
CID 63379921
4-butoxy-3-methoxybenzamide
CID 47102628
4-(2-amino-2-oxoethoxy)-3-methoxybenzamide
CID 47120011
N-(4-aminopentyl)-3,4-dimethoxybenzamide
CID 106122930
[1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 3,4-dimethoxybenzoate
CID 46644670
[2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 3,4-dimethoxybenzoate
CID 2591432
N-(3-aminobutyl)-3,4-dimethoxybenzamide
CID 63253883

Frequently Asked Questions

What is the IUPAC name of 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride?
The IUPAC name of 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride (CID 69259612) is 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride.
What is the SMILES notation for 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride?
The canonical SMILES for 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride is COc1cc(C(N)=O)ccc1Oc1ccc(CNCCC(C)C)s1.Cl.
What is the InChIKey of 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride?
The InChIKey is YOGGWXAWABRVSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O3S.ClH/c1-12(2)8-9-20-11-14-5-7-17(24-14)23-15-6-4-13(18(19)21)10-16(15)22-3;/h4-7,10,12,20H,8-9,11H2,1-3H3,(H2,19,21);1H.
What are the key properties of 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride?
3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride has a molecular weight of 384.93 g/mol, XLogP of 4.21, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methoxy-4-[5-[(3-methylbutylamino)methyl]thiophen-2-yl]oxybenzamide;hydrochloride is sourced from PubChem (CID 69259612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).