N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide

C14H18N2O3S — CID 106434972

IUPACN-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
SMILESCC(NCC(O)c1ccsc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10(14(18)16-7-12-3-2-5-19-12)15-8-13(17)11-4-6-20-9-11/h2-6,9-10,13,15,17H,7-8H2,1H3,(H,16,18)
InChIKeyMBVANGQGROZOSF-UHFFFAOYSA-N
MW294.38 g/mol
LogP1.67
Rot. Bonds7

About N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide

N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide (PubChem CID 106434972) has the molecular formula C14H18N2O3S and a molecular weight of 294.38 g/mol. Its IUPAC name is N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide.

Molecular Properties

Compound NameN-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
PubChem CID106434972
Molecular FormulaC14H18N2O3S
Molecular Weight294.38 g/mol
Exact Mass294.10
IUPAC NameN-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide
SMILESCC(NCC(O)c1ccsc1)C(=O)NCc1ccco1
InChIInChI=1S/C14H18N2O3S/c1-10(14(18)16-7-12-3-2-5-19-12)15-8-13(17)11-4-6-20-9-11/h2-6,9-10,13,15,17H,7-8H2,1H3,(H,16,18)
InChIKeyMBVANGQGROZOSF-UHFFFAOYSA-N
XLogP1.67
TPSA74.50 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-propan-2-ylpropanamide
CID 114188547
2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]-N-pentylpropanamide
CID 106434973
2-[[1-(furan-2-ylmethylamino)-1-oxopropan-2-yl]amino]acetic acid
CID 43466208
2-(2-aminoethylamino)-N-(furan-2-ylmethyl)propanamide
CID 62139964
(2R)-N-(furan-2-ylmethyl)-2-hydroxypropanamide
CID 93242884
N-(furan-2-ylmethyl)-2-[(2-methyl-1,3-thiazol-4-yl)methylamino]propanamide
CID 61285392
N'-(furan-2-ylmethyl)-N-(5-hydroxy-3-thiophen-3-ylpentyl)oxamide
CID 122160839
2-[1-(dimethylamino)propan-2-ylamino]-N-(furan-2-ylmethyl)propanamide
CID 82938141
N-(furan-2-ylmethyl)-2-[(4-methylphenyl)methylamino]propanamide
CID 43084593
N-(furan-2-ylmethyl)-2-[(4-methyl-1,3-thiazol-2-yl)methylamino]propanamide
CID 54914183
propan-2-yl N-(2-hydroxy-2-thiophen-3-ylethyl)carbamate
CID 106434937
N-(furan-2-ylmethyl)-2-(methoxyamino)propanamide
CID 60702583

Frequently Asked Questions

What is the IUPAC name of N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The IUPAC name of N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide (CID 106434972) is N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide.
What is the SMILES notation for N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The canonical SMILES for N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide is CC(NCC(O)c1ccsc1)C(=O)NCc1ccco1.
What is the InChIKey of N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
The InChIKey is MBVANGQGROZOSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H18N2O3S/c1-10(14(18)16-7-12-3-2-5-19-12)15-8-13(17)11-4-6-20-9-11/h2-6,9-10,13,15,17H,7-8H2,1H3,(H,16,18).
What are the key properties of N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide?
N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide has a molecular weight of 294.38 g/mol, XLogP of 1.67, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-ylmethyl)-2-[(2-hydroxy-2-thiophen-3-ylethyl)amino]propanamide is sourced from PubChem (CID 106434972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).