2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide

C17H22N2O3S — CID 118790837

IUPAC2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccsc2)c1OCCCN
InChIInChI=1S/C17H22N2O3S/c1-12(13-7-10-23-11-13)19-17(20)14-5-3-6-15(21-2)16(14)22-9-4-8-18/h3,5-7,10-12H,4,8-9,18H2,1-2H3,(H,19,20)
InChIKeyFXACJLWHQRFOHQ-UHFFFAOYSA-N
MW334.44 g/mol
LogP2.98
Rot. Bonds8

About 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide

2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide (PubChem CID 118790837) has the molecular formula C17H22N2O3S and a molecular weight of 334.44 g/mol. Its IUPAC name is 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide.

Molecular Properties

Compound Name2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
PubChem CID118790837
Molecular FormulaC17H22N2O3S
Molecular Weight334.44 g/mol
Exact Mass334.14
IUPAC Name2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide
SMILESCOc1cccc(C(=O)NC(C)c2ccsc2)c1OCCCN
InChIInChI=1S/C17H22N2O3S/c1-12(13-7-10-23-11-13)19-17(20)14-5-3-6-15(21-2)16(14)22-9-4-8-18/h3,5-7,10-12H,4,8-9,18H2,1-2H3,(H,19,20)
InChIKeyFXACJLWHQRFOHQ-UHFFFAOYSA-N
XLogP2.98
TPSA73.58 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.44
LogP ≤ 52.98
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

2-(3-aminopropoxy)-3-methoxy-N-[1-(6-methyl-3-pyridinyl)ethyl]benzamide
CID 118787115
2-(3-aminopropoxy)-3-methoxy-N-[(1S)-1-(6-methyl-2-pyridinyl)ethyl]benzamide
CID 125170184
2-(3-aminopropoxy)-3-methoxy-N-[1-(5-methyl-1H-imidazol-2-yl)ethyl]benzamide
CID 118762255
2-amino-3-methyl-N-(1-thiophen-3-ylethyl)benzamide
CID 62842689
2,3-dimethoxy-N-[1-(4-methylsulfanylphenyl)ethyl]benzamide
CID 46432760
3-(2,6-dimethoxyphenoxy)propan-1-amine
CID 14025832
N-[(1R)-1-(4-tert-butylphenyl)ethyl]-2,3-dimethoxybenzamide
CID 95601254
2,3-dimethoxy-N-[(1S)-1-(3-methoxyphenyl)ethyl]benzamide
CID 842039
2-(ethylamino)-N-(1-thiophen-3-ylethyl)benzamide
CID 55127001
N-[1-[4-(carbamoylamino)phenyl]ethyl]-2,3-dimethoxybenzamide
CID 47034214
2,3,4-trimethoxy-N-[(S)-thiophen-2-yl(thiophen-3-yl)methyl]benzamide
CID 129354524
2-(difluoromethoxy)-3-methoxy-N-(1-phenylethyl)benzamide
CID 51147641

Frequently Asked Questions

What is the IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide?
The IUPAC name of 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide (CID 118790837) is 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide.
What is the SMILES notation for 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide?
The canonical SMILES for 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide is COc1cccc(C(=O)NC(C)c2ccsc2)c1OCCCN.
What is the InChIKey of 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide?
The InChIKey is FXACJLWHQRFOHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3S/c1-12(13-7-10-23-11-13)19-17(20)14-5-3-6-15(21-2)16(14)22-9-4-8-18/h3,5-7,10-12H,4,8-9,18H2,1-2H3,(H,19,20).
What are the key properties of 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide?
2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide has a molecular weight of 334.44 g/mol, XLogP of 2.98, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-aminopropoxy)-3-methoxy-N-(1-thiophen-3-ylethyl)benzamide is sourced from PubChem (CID 118790837), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).