4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide

C15H24BrNO2S — CID 106353383

IUPAC4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H24BrNO2S/c1-15(2,3)12(9-10-18)17-14(19)6-4-5-11-7-8-13(16)20-11/h7-8,12,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyQICWTXKTMMASRE-UHFFFAOYSA-N
MW362.33 g/mol
LogP3.75
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide

4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide (PubChem CID 106353383) has the molecular formula C15H24BrNO2S and a molecular weight of 362.33 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
PubChem CID106353383
Molecular FormulaC15H24BrNO2S
Molecular Weight362.33 g/mol
Exact Mass361.07
IUPAC Name4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide
SMILESCC(C)(C)C(CCO)NC(=O)CCCc1ccc(Br)s1
InChIInChI=1S/C15H24BrNO2S/c1-15(2,3)12(9-10-18)17-14(19)6-4-5-11-7-8-13(16)20-11/h7-8,12,18H,4-6,9-10H2,1-3H3,(H,17,19)
InChIKeyQICWTXKTMMASRE-UHFFFAOYSA-N
XLogP3.75
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.33
LogP ≤ 53.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
(2S)-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-methoxy-4-oxobutanoic acid
CID 63307425
4-amino-2-[4-(5-bromothiophen-2-yl)butanoylamino]-4-oxobutanoic acid
CID 43171463
2-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylpentanoic acid
CID 43171239
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
4-(5-bromothiophen-2-yl)-N-(1-thiophen-2-ylpropan-2-yl)butanamide
CID 78861198
4-(5-bromothiophen-2-yl)-N-(2-hydroxybutyl)butanamide
CID 113492709
tert-butyl 4-(5-bromothiophen-2-yl)butanoate
CID 79494944
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
1-(5-bromothiophen-2-yl)heptan-4-one
CID 64520932
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
4-(5-bromothiophen-2-yl)-N-[1-(4,5-dimethoxy-2-methylphenyl)ethyl]butanamide
CID 78875354

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide (CID 106353383) is 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide is CC(C)(C)C(CCO)NC(=O)CCCc1ccc(Br)s1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
The InChIKey is QICWTXKTMMASRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24BrNO2S/c1-15(2,3)12(9-10-18)17-14(19)6-4-5-11-7-8-13(16)20-11/h7-8,12,18H,4-6,9-10H2,1-3H3,(H,17,19).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide?
4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide has a molecular weight of 362.33 g/mol, XLogP of 3.75, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-bromothiophen-2-yl)-N-(1-hydroxy-4,4-dimethylpentan-3-yl)butanamide is sourced from PubChem (CID 106353383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).