2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide

C15H17BrN2O2S — CID 76909957

IUPAC2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(Cc1csc(Br)c1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(8-11-7-14(16)21-9-11)15(20)13(17)6-10-2-4-12(19)5-3-10/h2-5,7,9,13,19H,6,8,17H2,1H3
InChIKeyYTKCHVPILNQLRX-UHFFFAOYSA-N
MW369.28 g/mol
LogP2.74
Rot. Bonds5

About 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide

2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide (PubChem CID 76909957) has the molecular formula C15H17BrN2O2S and a molecular weight of 369.28 g/mol. Its IUPAC name is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide.

Molecular Properties

Compound Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
PubChem CID76909957
Molecular FormulaC15H17BrN2O2S
Molecular Weight369.28 g/mol
Exact Mass368.02
IUPAC Name2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide
SMILESCN(Cc1csc(Br)c1)C(=O)C(N)Cc1ccc(O)cc1
InChIInChI=1S/C15H17BrN2O2S/c1-18(8-11-7-14(16)21-9-11)15(20)13(17)6-10-2-4-12(19)5-3-10/h2-5,7,9,13,19H,6,8,17H2,1H3
InChIKeyYTKCHVPILNQLRX-UHFFFAOYSA-N
XLogP2.74
TPSA66.56 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.28
LogP ≤ 52.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-methoxy-N-methylpropanamide
CID 81089179
2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76903871
(2S)-2-amino-N-(furan-3-ylmethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 61422664
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(1H-pyrazol-4-ylmethyl)propanamide
CID 77016051
(2S)-2-amino-N-[(4-bromothiophen-2-yl)methyl]-N-methyl-3-phenylpropanamide
CID 61162616
N-[(5-bromothiophen-3-yl)methyl]-N,2-dimethylbutanamide
CID 61394474
2-amino-N-(2-amino-2-oxoethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 76893046
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-propylpropanamide
CID 61154503
(2S)-2-amino-3-(4-hydroxyphenyl)-N-(2-hydroxypropyl)-N-methylpropanamide
CID 55060692
(2S)-2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(pyridin-3-ylmethyl)propanamide
CID 61155412
2-amino-3-(4-hydroxyphenyl)-N-methyl-N-(2-methylbutyl)propanamide
CID 76893519
(2R)-2-amino-N-(2,2-difluoroethyl)-3-(4-hydroxyphenyl)-N-methylpropanamide
CID 104905584

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The IUPAC name of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide (CID 76909957) is 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide.
What is the SMILES notation for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The canonical SMILES for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide is CN(Cc1csc(Br)c1)C(=O)C(N)Cc1ccc(O)cc1.
What is the InChIKey of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
The InChIKey is YTKCHVPILNQLRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrN2O2S/c1-18(8-11-7-14(16)21-9-11)15(20)13(17)6-10-2-4-12(19)5-3-10/h2-5,7,9,13,19H,6,8,17H2,1H3.
What are the key properties of 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide?
2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide has a molecular weight of 369.28 g/mol, XLogP of 2.74, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[(5-bromothiophen-3-yl)methyl]-3-(4-hydroxyphenyl)-N-methylpropanamide is sourced from PubChem (CID 76909957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).