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

C13H20N2O4S — CID 115772753

IUPACN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOCCN(CCO)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O4S/c1-19-8-6-15(5-7-16)12(17)2-4-14-13(18)11-3-9-20-10-11/h3,9-10,16H,2,4-8H2,1H3,(H,14,18)
InChIKeyQTHORAODTJDGCW-UHFFFAOYSA-N
MW300.38 g/mol
LogP0.34
Rot. Bonds9

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

N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (PubChem CID 115772753) 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-3-carboxamide.

Molecular Properties

Compound NameN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
PubChem CID115772753
Molecular FormulaC13H20N2O4S
Molecular Weight300.38 g/mol
Exact Mass300.11
IUPAC NameN-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
SMILESCOCCN(CCO)C(=O)CCNC(=O)c1ccsc1
InChIInChI=1S/C13H20N2O4S/c1-19-8-6-15(5-7-16)12(17)2-4-14-13(18)11-3-9-20-10-11/h3,9-10,16H,2,4-8H2,1H3,(H,14,18)
InChIKeyQTHORAODTJDGCW-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-[3-[methoxy(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 60656257
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-2-carboxamide
CID 115902337
methyl 2-[propyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetate
CID 61224315
2-methoxyethyl 3-(thiophene-3-carbonylamino)propanoate
CID 86913899
2-[carboxymethyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]acetic acid
CID 63645564
N-[3-[bis(prop-2-enyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 78803647
N-[2-(thiophene-3-carbonylamino)ethyl]thiophene-3-carboxamide
CID 101004058
N-[3-[butan-2-yl(methyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 134006121
3-[cyclopropyl-[3-(thiophene-3-carbonylamino)propanoyl]amino]propanoic acid
CID 60844519
N-[2-(diethylamino)ethyl]thiophene-3-carboxamide
CID 47007987
N-[3-[ethyl(thiophen-2-ylmethyl)amino]-3-oxopropyl]thiophene-3-carboxamide
CID 18163378
N-(2-cyanoethyl)-N-(2-methoxyethyl)thiophene-3-carboxamide
CID 63237168

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The IUPAC name of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide (CID 115772753) is N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide.
What is the SMILES notation for N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The canonical SMILES for N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide is COCCN(CCO)C(=O)CCNC(=O)c1ccsc1.
What is the InChIKey of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
The InChIKey is QTHORAODTJDGCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4S/c1-19-8-6-15(5-7-16)12(17)2-4-14-13(18)11-3-9-20-10-11/h3,9-10,16H,2,4-8H2,1H3,(H,14,18).
What are the key properties of N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-carboxamide?
N-[3-[2-hydroxyethyl(2-methoxyethyl)amino]-3-oxopropyl]thiophene-3-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-3-carboxamide is sourced from PubChem (CID 115772753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).