4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

C16H24BrNO2S — CID 115701308

IUPAC4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H24BrNO2S/c17-14-8-7-13(21-14)5-4-6-15(20)18-11-16(12-19)9-2-1-3-10-16/h7-8,19H,1-6,9-12H2,(H,18,20)
InChIKeyKWBCJAHWIPPUHV-UHFFFAOYSA-N
MW374.34 g/mol
LogP3.89
Rot. Bonds7

About 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide

4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (PubChem CID 115701308) has the molecular formula C16H24BrNO2S and a molecular weight of 374.34 g/mol. Its IUPAC name is 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.

Molecular Properties

Compound Name4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
PubChem CID115701308
Molecular FormulaC16H24BrNO2S
Molecular Weight374.34 g/mol
Exact Mass373.07
IUPAC Name4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
SMILESO=C(CCCc1ccc(Br)s1)NCC1(CO)CCCCC1
InChIInChI=1S/C16H24BrNO2S/c17-14-8-7-13(21-14)5-4-6-15(20)18-11-16(12-19)9-2-1-3-10-16/h7-8,19H,1-6,9-12H2,(H,18,20)
InChIKeyKWBCJAHWIPPUHV-UHFFFAOYSA-N
XLogP3.89
TPSA49.33 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500374.34
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclohexyl]methanol
CID 106042522
N-[[1-(hydroxymethyl)cyclopentyl]methyl]-4-phenylbutanamide
CID 115362564
3-[4-(5-bromothiophen-2-yl)butanoylamino]propanoic acid
CID 43354897
N-[1-(aminomethyl)cyclopentyl]-4-(5-bromothiophen-2-yl)butanamide
CID 119568116
4-(5-bromothiophen-2-yl)-N-[1,3-dihydroxy-2-(hydroxymethyl)propan-2-yl]butanamide
CID 107846274
4-(5-bromothiophen-2-yl)-N-[3-(methylamino)propyl]butanamide;hydrochloride
CID 119433779
[1-[[2-(5-bromothiophen-2-yl)ethylamino]methyl]cyclopropyl]methanol
CID 115243640
4-(5-bromothiophen-2-yl)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 18284230
4-[4-(5-bromothiophen-2-yl)butanoylamino]-3-methylbutanoic acid
CID 81063121
4-(5-bromothiophen-2-yl)-N-[2-(cyclopropylamino)-2-oxoethyl]butanamide
CID 18163868
5-(4-fluorophenyl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]pentanamide
CID 110310181
4-chloro-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide
CID 103966037

Frequently Asked Questions

What is the IUPAC name of 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The IUPAC name of 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide (CID 115701308) is 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide.
What is the SMILES notation for 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The canonical SMILES for 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide is O=C(CCCc1ccc(Br)s1)NCC1(CO)CCCCC1.
What is the InChIKey of 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
The InChIKey is KWBCJAHWIPPUHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24BrNO2S/c17-14-8-7-13(21-14)5-4-6-15(20)18-11-16(12-19)9-2-1-3-10-16/h7-8,19H,1-6,9-12H2,(H,18,20).
What are the key properties of 4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide?
4-(5-bromothiophen-2-yl)-N-[[1-(hydroxymethyl)cyclohexyl]methyl]butanamide has a molecular weight of 374.34 g/mol, XLogP of 3.89, 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-(hydroxymethyl)cyclohexyl]methyl]butanamide is sourced from PubChem (CID 115701308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).