N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide

C13H20N2O4S — CID 115902337

IUPACN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOCCN(CCO)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S/c1-19-9-7-15(6-8-16)12(17)4-5-14-13(18)11-3-2-10-20-11/h2-3,10,16H,4-9H2,1H3,(H,14,18)
InChIKeyLFKUWKJUILRBLN-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds9

About N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide

N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide (PubChem CID 115902337) has the molecular formula C13H20N2O4S and a molecular weight of 300.38 g/mol. Its IUPAC name is N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
PubChem CID115902337
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
SMILESCOCCN(CCO)C(=O)CCNC(=O)c1cccs1
InChIInChI=1S/C13H20N2O4S/c1-19-9-7-15(6-8-16)12(17)4-5-14-13(18)11-3-2-10-20-11/h2-3,10,16H,4-9H2,1H3,(H,14,18)
InChIKeyLFKUWKJUILRBLN-UHFFFAOYSA-N
XLogP0.34
TPSA78.87 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.38
LogP ≤ 50.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-[2-hydroxyethyl(2-methoxyethyl)amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 115772717
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 115772753
methyl 2-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]acetate
CID 61383225
N-[2-[ethyl(2-hydroxyethyl)amino]-2-oxoethyl]thiophene-2-carboxamide
CID 60653313
N-[3-[2-(4-methoxyphenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31285107
methyl 4-(thiophene-2-carbonylamino)butanoate
CID 60645503
N-[3-[[2-(diethylamino)-2-oxoethyl]-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 31370204
N'-[2-[2-hydroxyethyl(2-methoxyethyl)amino]acetyl]thiophene-2-carbohydrazide
CID 115927504
3-[ethyl-[3-(thiophene-2-carbonylamino)propanoyl]amino]-2-methylpropanoic acid
CID 62825794
N-[3-[2-(4-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18192126
N-(3-bromo-4-methoxybutyl)thiophene-2-carboxamide
CID 106245034
N-[3-[2-(2-chlorophenoxy)ethyl-methylamino]-3-oxopropyl]thiophene-2-carboxamide
CID 18119353

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The IUPAC name of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide (CID 115902337) is N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide is COCCN(CCO)C(=O)CCNC(=O)c1cccs1.
What is the InChIKey of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
The InChIKey is LFKUWKJUILRBLN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-9-7-15(6-8-16)12(17)4-5-14-13(18)11-3-2-10-20-11/h2-3,10,16H,4-9H2,1H3,(H,14,18).
What are the key properties of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide?
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide has a molecular weight of 300.38 g/mol, XLogP of 0.34, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide is sourced from PubChem (CID 115902337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).