5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide

C16H23BrN2O2S — CID 30255015

IUPAC5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C16H23BrN2O2S/c17-14-5-4-13(22-14)15(20)18-12-16(6-2-1-3-7-16)19-8-10-21-11-9-19/h4-5H,1-3,6-12H2,(H,18,20)
InChIKeyHZQUVBPXZNSPRO-UHFFFAOYSA-N
MW387.34 g/mol
LogP3.28
Rot. Bonds4

About 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide

5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide (PubChem CID 30255015) has the molecular formula C16H23BrN2O2S and a molecular weight of 387.34 g/mol. Its IUPAC name is 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
PubChem CID30255015
Molecular FormulaC16H23BrN2O2S
Molecular Weight387.34 g/mol
Exact Mass386.07
IUPAC Name5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide
SMILESO=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Br)s1
InChIInChI=1S/C16H23BrN2O2S/c17-14-5-4-13(22-14)15(20)18-12-16(6-2-1-3-7-16)19-8-10-21-11-9-19/h4-5H,1-3,6-12H2,(H,18,20)
InChIKeyHZQUVBPXZNSPRO-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.34
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(1-morpholin-4-ylcyclohexyl)methyl]-1-benzothiophene-2-carboxamide
CID 46512703
5-chloro-N-[(1-piperidin-1-ylcyclohexyl)methyl]thiophene-2-carboxamide
CID 25161511
4-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 2559826
5-bromo-N-[[1-(bromomethyl)cyclopentyl]methyl]thiophene-2-carboxamide
CID 115364247
N-[(1-morpholin-4-ylcyclohexyl)methyl]-5-nitro-1-benzothiophene-2-carboxamide
CID 39910206
1-[(1-morpholin-4-ylcyclohexyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 134056877
(E)-3-(4-bromophenyl)-N-[(1-morpholin-4-ylcyclohexyl)methyl]prop-2-enamide
CID 37259528
2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide;hydrochloride
CID 20995028
3-methyl-N-[(1-morpholin-4-ylcyclohexyl)methyl]furan-2-carboxamide
CID 51340136
4-morpholin-4-yl-N-[(1-pyrrolidin-1-ylcyclohexyl)methyl]benzamide
CID 91792119
5-chloro-2-fluoro-N-[(1-morpholin-4-ylcyclohexyl)methyl]benzamide
CID 18150722
N-[(3-morpholin-4-ylthiolan-3-yl)methyl]-5-nitrothiophene-2-carboxamide
CID 55658583

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide?
The IUPAC name of 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide (CID 30255015) is 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide is O=C(NCC1(N2CCOCC2)CCCCC1)c1ccc(Br)s1.
What is the InChIKey of 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide?
The InChIKey is HZQUVBPXZNSPRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H23BrN2O2S/c17-14-5-4-13(22-14)15(20)18-12-16(6-2-1-3-7-16)19-8-10-21-11-9-19/h4-5H,1-3,6-12H2,(H,18,20).
What are the key properties of 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide?
5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide has a molecular weight of 387.34 g/mol, XLogP of 3.28, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[(1-morpholin-4-ylcyclohexyl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 30255015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).