N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide

C12H16BrNOS — CID 32775478

IUPACN-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCCCC1
InChIInChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)8-14-12(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeySGDDRLRVZDUOBZ-UHFFFAOYSA-N
MW302.24 g/mol
LogP3.71
Rot. Bonds3

About N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide

N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide (PubChem CID 32775478) has the molecular formula C12H16BrNOS and a molecular weight of 302.24 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
PubChem CID32775478
Molecular FormulaC12H16BrNOS
Molecular Weight302.24 g/mol
Exact Mass301.01
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide
SMILESO=C(NCc1ccc(Br)s1)C1CCCCC1
InChIInChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)8-14-12(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15)
InChIKeySGDDRLRVZDUOBZ-UHFFFAOYSA-N
XLogP3.71
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.24
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(3S)-N-[(5-bromothiophen-2-yl)methyl]piperidine-3-carboxamide
CID 81129935
5-[(cyclooctanecarbonylamino)methyl]thiophene-2-sulfonyl chloride
CID 65019612
2-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopentane-1-carboxamide;hydrochloride
CID 119730015
N-[(5-bromothiophen-2-yl)methyl]-1-(furan-3-carbonyl)piperidine-4-carboxamide
CID 32822773
N-[2-(5-bromothiophen-2-yl)ethyl]-4-hydroxycyclohexane-1-carboxamide
CID 115150875
N-[(5-bromothiophen-2-yl)methyl]cyclododecanamine
CID 63452326
4-amino-N-[(5-bromothiophen-2-yl)methyl]cyclopent-2-ene-1-carboxamide
CID 79208355
N-[(5-bromothiophen-2-yl)methyl]-4-methylpyrrolidine-3-carboxamide
CID 63714977
N-[(5-bromothiophen-2-yl)methyl]azetidine-1-carboxamide
CID 138041285
2-[(5-bromothiophen-2-yl)methylamino]cycloheptan-1-ol
CID 61012171
1-amino-N-[(5-bromothiophen-2-yl)methyl]cyclohexane-1-carboxamide;hydrochloride
CID 119292901
(2S)-N-[(5-bromothiophen-2-yl)methyl]-2,3-dihydro-1H-indole-2-carboxamide
CID 61165378

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide (CID 32775478) is N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide is O=C(NCc1ccc(Br)s1)C1CCCCC1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide?
The InChIKey is SGDDRLRVZDUOBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16BrNOS/c13-11-7-6-10(16-11)8-14-12(15)9-4-2-1-3-5-9/h6-7,9H,1-5,8H2,(H,14,15).
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide?
N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide has a molecular weight of 302.24 g/mol, XLogP of 3.71, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]cyclohexanecarboxamide is sourced from PubChem (CID 32775478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).