3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide

C17H20BrNO3S — CID 60567081

IUPAC3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO3S/c1-21-11-9-19(13-15-3-2-10-22-15)17(20)8-12-23-16-6-4-14(18)5-7-16/h2-7,10H,8-9,11-13H2,1H3
InChIKeyQLBHRQFHFNDLJR-UHFFFAOYSA-N
MW398.32 g/mol
LogP4.20
Rot. Bonds9

About 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide

3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide (PubChem CID 60567081) has the molecular formula C17H20BrNO3S and a molecular weight of 398.32 g/mol. Its IUPAC name is 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide.

Molecular Properties

Compound Name3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
PubChem CID60567081
Molecular FormulaC17H20BrNO3S
Molecular Weight398.32 g/mol
Exact Mass397.03
IUPAC Name3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide
SMILESCOCCN(Cc1ccco1)C(=O)CCSc1ccc(Br)cc1
InChIInChI=1S/C17H20BrNO3S/c1-21-11-9-19(13-15-3-2-10-22-15)17(20)8-12-23-16-6-4-14(18)5-7-16/h2-7,10H,8-9,11-13H2,1H3
InChIKeyQLBHRQFHFNDLJR-UHFFFAOYSA-N
XLogP4.20
TPSA42.68 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.32
LogP ≤ 54.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-4-oxobutanamide
CID 55587760
N-benzyl-3-(4-fluorophenyl)sulfanyl-N-(furan-2-ylmethyl)propanamide
CID 112761159
2-[(4-bromophenyl)carbamoyl-(2-methoxyethyl)amino]-N-(furan-2-ylmethyl)-N-[(1-methylpyrrol-2-yl)methyl]acetamide
CID 4029795
methyl 2-[3-(4-bromophenyl)sulfanylpropanoyl-(2-methoxy-2-oxoethyl)amino]acetate
CID 56581084
5-(4-bromophenyl)-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)pyrazolidine-3-carboxamide
CID 74629806
N-[2-[furan-2-ylmethyl(2-methoxyethyl)amino]-2-oxoethyl]-2-phenylacetamide
CID 32992758
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-3-(5-phenylfuran-2-yl)propanamide
CID 55594064
N-(furan-2-ylmethyl)-N-(2-methoxyethyl)-2-(3-oxo-[1,2,4]triazolo[4,3-a]pyridin-2-yl)acetamide
CID 134059726
3-(furan-2-yl)-N-(2-hydroxyethyl)-N-(2-methoxyethyl)propanamide
CID 115902257
4-bromo-N-[2-[furan-2-ylmethyl-[(1-methylpyrrol-2-yl)methyl]amino]-2-oxoethyl]-N-(3-methoxypropyl)benzamide
CID 4015195
2-(4-chlorophenyl)sulfanyl-N,N-bis(furan-2-ylmethyl)acetamide
CID 112767047
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)acetamide
CID 55594065

Frequently Asked Questions

What is the IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The IUPAC name of 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide (CID 60567081) is 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide.
What is the SMILES notation for 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The canonical SMILES for 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide is COCCN(Cc1ccco1)C(=O)CCSc1ccc(Br)cc1.
What is the InChIKey of 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
The InChIKey is QLBHRQFHFNDLJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20BrNO3S/c1-21-11-9-19(13-15-3-2-10-22-15)17(20)8-12-23-16-6-4-14(18)5-7-16/h2-7,10H,8-9,11-13H2,1H3.
What are the key properties of 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide?
3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide has a molecular weight of 398.32 g/mol, XLogP of 4.20, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-bromophenyl)sulfanyl-N-(furan-2-ylmethyl)-N-(2-methoxyethyl)propanamide is sourced from PubChem (CID 60567081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).