N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide

C17H21N3OS2 — CID 51965760

IUPACN-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
SMILESCC(C)(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1cccs1
InChIInChI=1S/C17H21N3OS2/c1-17(2,3)15(13-5-4-9-22-13)19-8-6-14(21)20-16-12(11-18)7-10-23-16/h4-5,7,9-10,15,19H,6,8H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyVMZNFXMAKHZMMF-OAHLLOKOSA-N
MW347.51 g/mol
LogP4.39
Rot. Bonds6

About N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide

N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide (PubChem CID 51965760) has the molecular formula C17H21N3OS2 and a molecular weight of 347.51 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
PubChem CID51965760
Molecular FormulaC17H21N3OS2
Molecular Weight347.51 g/mol
Exact Mass347.11
IUPAC NameN-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide
SMILESCC(C)(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1cccs1
InChIInChI=1S/C17H21N3OS2/c1-17(2,3)15(13-5-4-9-22-13)19-8-6-14(21)20-16-12(11-18)7-10-23-16/h4-5,7,9-10,15,19H,6,8H2,1-3H3,(H,20,21)/t15-/m1/s1
InChIKeyVMZNFXMAKHZMMF-OAHLLOKOSA-N
XLogP4.39
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.51
LogP ≤ 54.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide with MolForge

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Related Compounds

N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 9392522
N-(3-cyanothiophen-2-yl)-3-[[1-(4-fluorophenyl)-2-methylpropyl]amino]propanamide
CID 18089068
N-(3-cyanothiophen-2-yl)-3,3-dimethylbutanamide
CID 17374418
N-(3-cyanothiophen-2-yl)-3-[[(2R,3S)-3-pyrazol-1-ylbutan-2-yl]amino]propanamide
CID 95313521
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998084
N-(3-cyanothiophen-2-yl)-2-[(2-methylpropan-2-yl)oxy]acetamide
CID 112605028
3-(2-amino-2-methylpropyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 66220996
2-[[(S)-[4-[(2S)-butan-2-yl]phenyl]-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8996651
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 9136221
2-bromo-N-(3-cyanothiophen-2-yl)-2-methylpropanamide
CID 114327374
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
3-(4-tert-butylphenyl)sulfanyl-N-(3-cyanothiophen-2-yl)propanamide
CID 9042639

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide (CID 51965760) is N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide is CC(C)(C)[C@H](NCCC(=O)Nc1sccc1C#N)c1cccs1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide?
The InChIKey is VMZNFXMAKHZMMF-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H21N3OS2/c1-17(2,3)15(13-5-4-9-22-13)19-8-6-14(21)20-16-12(11-18)7-10-23-16/h4-5,7,9-10,15,19H,6,8H2,1-3H3,(H,20,21)/t15-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide?
N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide has a molecular weight of 347.51 g/mol, XLogP of 4.39, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-cyanothiophen-2-yl)-3-[[(1S)-2,2-dimethyl-1-thiophen-2-ylpropyl]amino]propanamide is sourced from PubChem (CID 51965760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).