N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

C16H20N2O3S — CID 94032663

IUPACN-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)s1
InChIInChI=1S/C16H20N2O3S/c1-9-7-14(12(4)22-9)10(2)17-15(19)11(3)18-16(20)13-5-6-21-8-13/h5-8,10-11H,1-4H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1
InChIKeyGARQKQZBRLJONJ-QWRGUYRKSA-N
MW320.41 g/mol
LogP2.95
Rot. Bonds5

About N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide

N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (PubChem CID 94032663) has the molecular formula C16H20N2O3S and a molecular weight of 320.41 g/mol. Its IUPAC name is N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.

Molecular Properties

Compound NameN-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
PubChem CID94032663
Molecular FormulaC16H20N2O3S
Molecular Weight320.41 g/mol
Exact Mass320.12
IUPAC NameN-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide
SMILESCc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)s1
InChIInChI=1S/C16H20N2O3S/c1-9-7-14(12(4)22-9)10(2)17-15(19)11(3)18-16(20)13-5-6-21-8-13/h5-8,10-11H,1-4H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1
InChIKeyGARQKQZBRLJONJ-QWRGUYRKSA-N
XLogP2.95
TPSA71.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.41
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-[2-(furan-3-carbonylamino)propanoylamino]-3-methylbutanoic acid
CID 119359772
N-[(2R)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]-4-methylbenzamide
CID 39167644
N-(3-oxobutan-2-yl)furan-3-carboxamide
CID 64997031
4-chloro-N-[(2S)-1-[[(1R)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167663
4-chloro-N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-3-methyl-1-oxobutan-2-yl]benzamide
CID 39167661
1,3-bis[1-(2,5-dimethylthiophen-3-yl)ethyl]urea
CID 71897547
(2S)-2-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-3-methylbutanamide
CID 61154263
N-[1-[(2-amino-2-methylpropyl)amino]-1-oxopropan-2-yl]furan-3-carboxamide
CID 119626005
2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119188091
(2R)-2-[2-(furan-3-carbonylamino)propanoylamino]-4-methylpentanoic acid
CID 119363522
N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-fluoro-3-methylbenzamide
CID 63212879
3-amino-N-[1-(2,5-dimethylthiophen-3-yl)ethyl]-4-methylbenzamide
CID 43696642

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The IUPAC name of N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide (CID 94032663) is N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide.
What is the SMILES notation for N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The canonical SMILES for N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is Cc1cc([C@H](C)NC(=O)[C@H](C)NC(=O)c2ccoc2)c(C)s1.
What is the InChIKey of N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
The InChIKey is GARQKQZBRLJONJ-QWRGUYRKSA-N. The full InChI is InChI=1S/C16H20N2O3S/c1-9-7-14(12(4)22-9)10(2)17-15(19)11(3)18-16(20)13-5-6-21-8-13/h5-8,10-11H,1-4H3,(H,17,19)(H,18,20)/t10-,11-/m0/s1.
What are the key properties of N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide?
N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide has a molecular weight of 320.41 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2S)-1-[[(1S)-1-(2,5-dimethylthiophen-3-yl)ethyl]amino]-1-oxopropan-2-yl]furan-3-carboxamide is sourced from PubChem (CID 94032663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).