4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide

C10H15BrN2O2S — CID 103156291

IUPAC4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1sccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-15-7(5-12)4-10(14)13-6-9-8(11)2-3-16-9/h2-3,7H,4-6,12H2,1H3,(H,13,14)
InChIKeyUEMVINKAIRTCKM-UHFFFAOYSA-N
MW307.21 g/mol
LogP1.49
Rot. Bonds6

About 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide

4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide (PubChem CID 103156291) has the molecular formula C10H15BrN2O2S and a molecular weight of 307.21 g/mol. Its IUPAC name is 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide.

Molecular Properties

Compound Name4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
PubChem CID103156291
Molecular FormulaC10H15BrN2O2S
Molecular Weight307.21 g/mol
Exact Mass306.00
IUPAC Name4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide
SMILESCOC(CN)CC(=O)NCc1sccc1Br
InChIInChI=1S/C10H15BrN2O2S/c1-15-7(5-12)4-10(14)13-6-9-8(11)2-3-16-9/h2-3,7H,4-6,12H2,1H3,(H,13,14)
InChIKeyUEMVINKAIRTCKM-UHFFFAOYSA-N
XLogP1.49
TPSA64.35 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.21
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(aminomethyl)-N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 81079533
N-[(3-bromothiophen-2-yl)methyl]-3,5,5-trimethylhexanamide
CID 78985808
2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxypropanamide;hydrochloride
CID 120987993
4-amino-N-[(4-bromo-3-fluorophenyl)methyl]-3-methoxybutanamide;hydrochloride
CID 120590647
N-[(3-bromothiophen-2-yl)methyl]pentanamide
CID 78986100
4-amino-3-methoxy-N-[[4-(methoxymethyl)phenyl]methyl]butanamide;hydrochloride
CID 120588543
(2S)-2-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methylbutanamide;hydrochloride
CID 119309779
4-amino-N-[(3-ethylthiophen-2-yl)methyl]-3-methylbutanamide
CID 81079297
4-amino-N-(furan-2-ylmethyl)-3-methoxybutanamide
CID 103154043
4-amino-N-[2-(benzylamino)-2-oxoethyl]-3-methoxybutanamide
CID 103155317
N-[(3-bromothiophen-2-yl)methyl]-3-(2,2,2-trifluoroethoxy)propanamide
CID 113228461
4-amino-3-methoxy-N-[[4-(trifluoromethyl)-1,3-thiazol-2-yl]methyl]butanamide;hydrochloride
CID 120592709

Frequently Asked Questions

What is the IUPAC name of 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide?
The IUPAC name of 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide (CID 103156291) is 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide.
What is the SMILES notation for 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide?
The canonical SMILES for 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide is COC(CN)CC(=O)NCc1sccc1Br.
What is the InChIKey of 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide?
The InChIKey is UEMVINKAIRTCKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15BrN2O2S/c1-15-7(5-12)4-10(14)13-6-9-8(11)2-3-16-9/h2-3,7H,4-6,12H2,1H3,(H,13,14).
What are the key properties of 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide?
4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide has a molecular weight of 307.21 g/mol, XLogP of 1.49, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-N-[(3-bromothiophen-2-yl)methyl]-3-methoxybutanamide is sourced from PubChem (CID 103156291), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).