N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide

C15H16BrNO2S — CID 78985877

IUPACN-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-2-7-19-12-5-3-4-11(9-12)15(18)17-10-14-13(16)6-8-20-14/h3-6,8-9H,2,7,10H2,1H3,(H,17,18)
InChIKeyYADUMNNFVYFWFW-UHFFFAOYSA-N
MW354.27 g/mol
LogP4.23
Rot. Bonds6

About N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide

N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide (PubChem CID 78985877) has the molecular formula C15H16BrNO2S and a molecular weight of 354.27 g/mol. Its IUPAC name is N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide.

Molecular Properties

Compound NameN-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
PubChem CID78985877
Molecular FormulaC15H16BrNO2S
Molecular Weight354.27 g/mol
Exact Mass353.01
IUPAC NameN-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide
SMILESCCCOc1cccc(C(=O)NCc2sccc2Br)c1
InChIInChI=1S/C15H16BrNO2S/c1-2-7-19-12-5-3-4-11(9-12)15(18)17-10-14-13(16)6-8-20-14/h3-6,8-9H,2,7,10H2,1H3,(H,17,18)
InChIKeyYADUMNNFVYFWFW-UHFFFAOYSA-N
XLogP4.23
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.27
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-propoxy-N-[2-[(3-propoxybenzoyl)amino]ethyl]benzamide
CID 4960567
3-propoxy-N-[3-[(3-propoxybenzoyl)amino]propyl]benzamide
CID 4960565
N-[(4-aminophenyl)methyl]-3-propoxybenzamide
CID 62921372
N-[(3-hydroxyphenyl)methyl]-3-propoxybenzamide
CID 61151190
N-(2-methylprop-2-enyl)-3-propoxybenzamide
CID 114618945
3-bromo-N-[(3-bromothiophen-2-yl)methyl]-5-methylbenzamide
CID 113460610
N-[2-(ethylamino)ethyl]-3-propoxybenzamide
CID 62919691
N-(2-bromopentyl)-3-propoxybenzamide
CID 113496505
2-bromo-N'-(3-propoxybenzoyl)benzohydrazide
CID 4960218
3-propoxy-N-(1H-pyrazol-4-ylmethyl)benzamide
CID 60968015
N-[(4-propan-2-yloxyphenyl)methyl]-3-propoxybenzamide
CID 43911104
N'-benzoyl-3-propoxybenzohydrazide
CID 4960188

Frequently Asked Questions

What is the IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide?
The IUPAC name of N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide (CID 78985877) is N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide.
What is the SMILES notation for N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide?
The canonical SMILES for N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide is CCCOc1cccc(C(=O)NCc2sccc2Br)c1.
What is the InChIKey of N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide?
The InChIKey is YADUMNNFVYFWFW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16BrNO2S/c1-2-7-19-12-5-3-4-11(9-12)15(18)17-10-14-13(16)6-8-20-14/h3-6,8-9H,2,7,10H2,1H3,(H,17,18).
What are the key properties of N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide?
N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide has a molecular weight of 354.27 g/mol, XLogP of 4.23, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-bromothiophen-2-yl)methyl]-3-propoxybenzamide is sourced from PubChem (CID 78985877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).