5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide

C16H19BrN2O3S — CID 42895264

IUPAC5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(Br)c2)N2CCOCC2)o1
InChIInChI=1S/C16H19BrN2O3S/c1-11-2-3-14(22-11)13(19-4-6-21-7-5-19)9-18-16(20)12-8-15(17)23-10-12/h2-3,8,10,13H,4-7,9H2,1H3,(H,18,20)
InChIKeyGNFAWEXXNUYOTA-UHFFFAOYSA-N
MW399.31 g/mol
LogP3.22
Rot. Bonds5

About 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide

5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide (PubChem CID 42895264) has the molecular formula C16H19BrN2O3S and a molecular weight of 399.31 g/mol. Its IUPAC name is 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide.

Molecular Properties

Compound Name5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
PubChem CID42895264
Molecular FormulaC16H19BrN2O3S
Molecular Weight399.31 g/mol
Exact Mass398.03
IUPAC Name5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide
SMILESCc1ccc(C(CNC(=O)c2csc(Br)c2)N2CCOCC2)o1
InChIInChI=1S/C16H19BrN2O3S/c1-11-2-3-14(22-11)13(19-4-6-21-7-5-19)9-18-16(20)12-8-15(17)23-10-12/h2-3,8,10,13H,4-7,9H2,1H3,(H,18,20)
InChIKeyGNFAWEXXNUYOTA-UHFFFAOYSA-N
XLogP3.22
TPSA54.71 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500399.31
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 18164168
4-bromo-3,5-dimethoxy-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 24643793
3,5-diacetamido-N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]benzamide
CID 26010903
2,5-dimethyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]furan-3-carboxamide
CID 18164174
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-benzofuran-2-carboxamide
CID 51283092
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-4-(2-phenylethynyl)benzamide
CID 24643832
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]pyridine-2-carboxamide
CID 51074519
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3-(1,2,4-triazol-4-yl)benzamide
CID 97123755
N-[(2R)-2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-3,4-dihydro-2H-chromene-6-carboxamide
CID 126423370
4-ethyl-5-methyl-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-2-carboxamide
CID 51283119
3-(4-bromophenyl)-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1H-pyrazole-5-carboxamide
CID 55470975
N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]-1-phenylpyrazole-4-carboxamide
CID 18164203

Frequently Asked Questions

What is the IUPAC name of 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide?
The IUPAC name of 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide (CID 42895264) is 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide.
What is the SMILES notation for 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide?
The canonical SMILES for 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide is Cc1ccc(C(CNC(=O)c2csc(Br)c2)N2CCOCC2)o1.
What is the InChIKey of 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide?
The InChIKey is GNFAWEXXNUYOTA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19BrN2O3S/c1-11-2-3-14(22-11)13(19-4-6-21-7-5-19)9-18-16(20)12-8-15(17)23-10-12/h2-3,8,10,13H,4-7,9H2,1H3,(H,18,20).
What are the key properties of 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide?
5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide has a molecular weight of 399.31 g/mol, XLogP of 3.22, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-N-[2-(5-methylfuran-2-yl)-2-morpholin-4-ylethyl]thiophene-3-carboxamide is sourced from PubChem (CID 42895264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).