N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide

C16H20N2O3S — CID 94814587

IUPACN-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccoc1)c1cccs1
InChIInChI=1S/C16H20N2O3S/c1-11(2)8-13(14-4-3-7-22-14)18-15(19)9-17-16(20)12-5-6-21-10-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyXOJQKZICTAQNQZ-ZDUSSCGKSA-N
MW320.41 g/mol
LogP2.97
Rot. Bonds7

About N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide

N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide (PubChem CID 94814587) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
PubChem CID94814587
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide
SMILESCC(C)C[C@H](NC(=O)CNC(=O)c1ccoc1)c1cccs1
InChIInChI=1S/C16H20N2O3S/c1-11(2)8-13(14-4-3-7-22-14)18-15(19)9-17-16(20)12-5-6-21-10-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1
InChIKeyXOJQKZICTAQNQZ-ZDUSSCGKSA-N
XLogP2.97
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[2-[[(1R)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]sulfanylacetamide
CID 95596104
N-[2-oxo-2-(pentan-3-ylamino)ethyl]furan-3-carboxamide
CID 46431023
N-[(2R)-2-pyrrolidin-1-yl-2-thiophen-2-ylethyl]furan-3-carboxamide
CID 39987542
N-methyl-2-[(3-methyl-1-thiophen-2-ylbutyl)amino]acetamide
CID 115706824
N-(3-methyl-1-thiophen-2-ylbutyl)-3-pyrazol-1-ylpropanamide
CID 86822216
1-methyl-N-[(1S)-3-methyl-1-thiophen-2-ylbutyl]-6-oxopyridine-3-carboxamide
CID 95295495
N-[(4-methylphenyl)-thiophen-2-ylmethyl]furan-3-carboxamide
CID 24613812
N-[[5-[hydroxy(thiophen-2-yl)methyl]thiophen-2-yl]methyl]furan-3-carboxamide
CID 71804666
N-(2-bromo-4-methylpentyl)furan-3-carboxamide
CID 107157639
1-(1-hydroxypropan-2-yl)-3-(3-methyl-1-thiophen-2-ylbutyl)urea
CID 110901056
2-(2,5-dioxoimidazolidin-1-yl)-N-(3-methyl-1-thiophen-2-ylbutyl)acetamide
CID 86834346
N-[(2S)-1-[(2-amino-2-oxoethyl)amino]-4-methyl-1-oxopentan-2-yl]furan-3-carboxamide
CID 166630178

Frequently Asked Questions

What is the IUPAC name of N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide?
The IUPAC name of N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide (CID 94814587) is N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide.
What is the SMILES notation for N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide?
The canonical SMILES for N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide is CC(C)C[C@H](NC(=O)CNC(=O)c1ccoc1)c1cccs1.
What is the InChIKey of N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide?
The InChIKey is XOJQKZICTAQNQZ-ZDUSSCGKSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-11(2)8-13(14-4-3-7-22-14)18-15(19)9-17-16(20)12-5-6-21-10-12/h3-7,10-11,13H,8-9H2,1-2H3,(H,17,20)(H,18,19)/t13-/m0/s1.
What are the key properties of N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide?
N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.97, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[[(1S)-3-methyl-1-thiophen-2-ylbutyl]amino]-2-oxoethyl]furan-3-carboxamide is sourced from PubChem (CID 94814587), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).