N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide

C15H25BrN2O2S — CID 60689169

IUPACN-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCCCN(CCO)CC(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN2O2S/c1-3-5-8-17(9-10-19)12-15(20)18(4-2)11-13-6-7-14(16)21-13/h6-7,19H,3-5,8-12H2,1-2H3
InChIKeyDFIHNLHLXAVUIA-UHFFFAOYSA-N
MW377.35 g/mol
LogP2.95
Rot. Bonds10

About N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide

N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide (PubChem CID 60689169) has the molecular formula C15H25BrN2O2S and a molecular weight of 377.35 g/mol. Its IUPAC name is N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide.

Molecular Properties

Compound NameN-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide
PubChem CID60689169
Molecular FormulaC15H25BrN2O2S
Molecular Weight377.35 g/mol
Exact Mass376.08
IUPAC NameN-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide
SMILESCCCCN(CCO)CC(=O)N(CC)Cc1ccc(Br)s1
InChIInChI=1S/C15H25BrN2O2S/c1-3-5-8-17(9-10-19)12-15(20)18(4-2)11-13-6-7-14(16)21-13/h6-7,19H,3-5,8-12H2,1-2H3
InChIKeyDFIHNLHLXAVUIA-UHFFFAOYSA-N
XLogP2.95
TPSA43.78 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.35
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-(3-hydroxypropylsulfanyl)acetamide
CID 66114964
5-[(5-bromothiophen-2-yl)methyl-ethylamino]-5-oxopentanoic acid
CID 54874919
2-[[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]-propan-2-ylamino]acetic acid
CID 60838307
N-[(5-bromothiophen-2-yl)methyl]-3-(tert-butylamino)-N-ethylpropanamide
CID 54869367
2-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethoxy]acetic acid
CID 61328257
2-(3-aminopropylsulfanyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 66218074
4-[(5-bromothiophen-2-yl)methyl-ethylamino]-2,2-diethyl-4-oxobutanoic acid
CID 60952941
2-(4-aminophenyl)-N-[(5-bromothiophen-2-yl)methyl]-N-ethylacetamide
CID 60937469
2-amino-N-[(5-bromothiophen-2-yl)methyl]-N-ethyl-2-phenylacetamide
CID 60937692
N-[(5-bromothiophen-2-yl)methyl]-2-(2,3-dihydroxypropylsulfanyl)-N-ethylacetamide
CID 79682097
3-[2-[(5-bromothiophen-2-yl)methyl-ethylamino]-2-oxoethyl]sulfanylbutanoic acid
CID 66137813
3,5-dibromo-N-[(5-bromothiophen-2-yl)methyl]-N-ethylbenzamide
CID 107980280

Frequently Asked Questions

What is the IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The IUPAC name of N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide (CID 60689169) is N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide.
What is the SMILES notation for N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The canonical SMILES for N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide is CCCCN(CCO)CC(=O)N(CC)Cc1ccc(Br)s1.
What is the InChIKey of N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide?
The InChIKey is DFIHNLHLXAVUIA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H25BrN2O2S/c1-3-5-8-17(9-10-19)12-15(20)18(4-2)11-13-6-7-14(16)21-13/h6-7,19H,3-5,8-12H2,1-2H3.
What are the key properties of N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide?
N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide has a molecular weight of 377.35 g/mol, XLogP of 2.95, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-bromothiophen-2-yl)methyl]-2-[butyl(2-hydroxyethyl)amino]-N-ethylacetamide is sourced from PubChem (CID 60689169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).