N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

C15H18N2O4S — CID 111482176

IUPACN-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCC(C)(O)c1ccco1)C(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S/c1-15(20,12-6-3-7-21-12)10-16-13(18)9-17(2)14(19)11-5-4-8-22-11/h3-8,20H,9-10H2,1-2H3,(H,16,18)
InChIKeyLFKZOCGNKOCAGB-UHFFFAOYSA-N
MW322.39 g/mol
LogP1.44
Rot. Bonds6

About N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide

N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (PubChem CID 111482176) has the molecular formula C15H18N2O4S and a molecular weight of 322.39 g/mol. Its IUPAC name is N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.

Molecular Properties

Compound NameN-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
PubChem CID111482176
Molecular FormulaC15H18N2O4S
Molecular Weight322.39 g/mol
Exact Mass322.10
IUPAC NameN-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
SMILESCN(CC(=O)NCC(C)(O)c1ccco1)C(=O)c1cccs1
InChIInChI=1S/C15H18N2O4S/c1-15(20,12-6-3-7-21-12)10-16-13(18)9-17(2)14(19)11-5-4-8-22-11/h3-8,20H,9-10H2,1-2H3,(H,16,18)
InChIKeyLFKZOCGNKOCAGB-UHFFFAOYSA-N
XLogP1.44
TPSA82.78 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.39
LogP ≤ 51.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

1-[(2R)-2-(furan-2-yl)-2-hydroxypropyl]-3-(thiophen-2-ylmethyl)urea
CID 95983775
3-(furan-2-yl)-N-[2-(furan-2-yl)-2-hydroxypropyl]propanamide
CID 111481891
N-[2-(2-bromoprop-2-enylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 47438669
N-[2-(4-hydroxybutylamino)-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 106843658
methyl N-[2-(furan-2-yl)-2-hydroxypropyl]carbamate
CID 121085806
4-tert-butylsulfanyl-N-[2-(furan-2-yl)-2-hydroxypropyl]butanamide
CID 109379769
N-[2-(furan-2-yl)-2-hydroxypropyl]-2-[4-(2-methylpropyl)phenyl]acetamide
CID 111481934
N-[2-[(2-hydroxy-2-methylpropyl)-methylamino]-2-oxoethyl]-N-methylthiophene-2-carboxamide
CID 79291050
2-hydroxy-3-[[2-[methyl(thiophene-2-carbonyl)amino]acetyl]amino]propanoic acid
CID 66167883
2-(4-fluorophenyl)-N-[2-(furan-2-yl)-2-hydroxypropyl]acetamide
CID 71782547
1-[2-(furan-2-yl)-2-hydroxypropyl]-3-(2,2,2-trifluoroethyl)urea
CID 111474174
N-[2-(furan-2-yl)-2-hydroxypropyl]cyclopropanecarboxamide
CID 71782530

Frequently Asked Questions

What is the IUPAC name of N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The IUPAC name of N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide (CID 111482176) is N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide.
What is the SMILES notation for N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The canonical SMILES for N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is CN(CC(=O)NCC(C)(O)c1ccco1)C(=O)c1cccs1.
What is the InChIKey of N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
The InChIKey is LFKZOCGNKOCAGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O4S/c1-15(20,12-6-3-7-21-12)10-16-13(18)9-17(2)14(19)11-5-4-8-22-11/h3-8,20H,9-10H2,1-2H3,(H,16,18).
What are the key properties of N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide?
N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide has a molecular weight of 322.39 g/mol, XLogP of 1.44, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[2-(furan-2-yl)-2-hydroxypropyl]amino]-2-oxoethyl]-N-methylthiophene-2-carboxamide is sourced from PubChem (CID 111482176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).