4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide

C12H16Br2N2O2S — CID 115629840

IUPAC4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C12H16Br2N2O2S/c1-2-16-3-4-18-8(7-16)6-15-12(17)10-5-9(13)11(14)19-10/h5,8H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyYRHDCIPCVAGQFT-UHFFFAOYSA-N
MW412.15 g/mol
LogP2.72
Rot. Bonds4

About 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide

4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide (PubChem CID 115629840) has the molecular formula C12H16Br2N2O2S and a molecular weight of 412.15 g/mol. Its IUPAC name is 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide.

Molecular Properties

Compound Name4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
PubChem CID115629840
Molecular FormulaC12H16Br2N2O2S
Molecular Weight412.15 g/mol
Exact Mass409.93
IUPAC Name4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
SMILESCCN1CCOC(CNC(=O)c2cc(Br)c(Br)s2)C1
InChIInChI=1S/C12H16Br2N2O2S/c1-2-16-3-4-18-8(7-16)6-15-12(17)10-5-9(13)11(14)19-10/h5,8H,2-4,6-7H2,1H3,(H,15,17)
InChIKeyYRHDCIPCVAGQFT-UHFFFAOYSA-N
XLogP2.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.15
LogP ≤ 52.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4,5-dibromo-N-[[(2S)-oxolan-2-yl]methyl]thiophene-2-carboxamide
CID 25402358
3-amino-4-bromo-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114398949
5-(3-aminoprop-1-ynyl)-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide
CID 114401081
3-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1H-pyrazole-5-carboxamide
CID 114399014
4-amino-N-[(4-ethylmorpholin-2-yl)methyl]-1-propylpyrrole-2-carboxamide
CID 114398981
5-bromo-N-[(4-ethylmorpholin-2-yl)methyl]-2-hydrazinylpyridine-3-carboxamide
CID 114401197
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-4-methyl-1,3-thiazole-5-carboxamide
CID 114400020
N-[(4-ethylmorpholin-2-yl)methyl]-3-hydroxy-2-methylbenzamide
CID 115869037
2-chloro-N-[(4-ethylmorpholin-2-yl)methyl]pyridine-4-carboxamide
CID 115629793
3-(chloromethyl)-N-[(4-ethylmorpholin-2-yl)methyl]benzamide
CID 114399696
4-bromo-5-ethyl-N-(oxolan-2-ylmethyl)thiophene-2-carboxamide
CID 17173841
2-amino-N-[(4-ethylmorpholin-2-yl)methyl]-6-methylbenzamide
CID 114398978

Frequently Asked Questions

What is the IUPAC name of 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The IUPAC name of 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide (CID 115629840) is 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide.
What is the SMILES notation for 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The canonical SMILES for 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide is CCN1CCOC(CNC(=O)c2cc(Br)c(Br)s2)C1.
What is the InChIKey of 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
The InChIKey is YRHDCIPCVAGQFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16Br2N2O2S/c1-2-16-3-4-18-8(7-16)6-15-12(17)10-5-9(13)11(14)19-10/h5,8H,2-4,6-7H2,1H3,(H,15,17).
What are the key properties of 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide?
4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide has a molecular weight of 412.15 g/mol, XLogP of 2.72, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dibromo-N-[(4-ethylmorpholin-2-yl)methyl]thiophene-2-carboxamide is sourced from PubChem (CID 115629840), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).