N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

C21H21N3OS2 — CID 8998084

IUPACN-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2sccc2C#N)c2cccs2)cc1
InChIInChI=1S/C21H21N3OS2/c1-14(2)15-5-7-16(8-6-15)20(18-4-3-10-26-18)23-13-19(25)24-21-17(12-22)9-11-27-21/h3-11,14,20,23H,13H2,1-2H3,(H,24,25)/t20-/m1/s1
InChIKeyHLNQVBUSJXCEPS-HXUWFJFHSA-N
MW395.55 g/mol
LogP5.12
Rot. Bonds7

About N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide

N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (PubChem CID 8998084) has the molecular formula C21H21N3OS2 and a molecular weight of 395.55 g/mol. Its IUPAC name is N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.

Molecular Properties

Compound NameN-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
PubChem CID8998084
Molecular FormulaC21H21N3OS2
Molecular Weight395.55 g/mol
Exact Mass395.11
IUPAC NameN-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
SMILESCC(C)c1ccc([C@@H](NCC(=O)Nc2sccc2C#N)c2cccs2)cc1
InChIInChI=1S/C21H21N3OS2/c1-14(2)15-5-7-16(8-6-15)20(18-4-3-10-26-18)23-13-19(25)24-21-17(12-22)9-11-27-21/h3-11,14,20,23H,13H2,1-2H3,(H,24,25)/t20-/m1/s1
InChIKeyHLNQVBUSJXCEPS-HXUWFJFHSA-N
XLogP5.12
TPSA64.92 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.55
LogP ≤ 55.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide with MolForge

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Related Compounds

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-[[(S)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993493
2-[[(R)-(4-butylphenyl)-thiophen-2-ylmethyl]amino]-N-(3-cyanothiophen-2-yl)acetamide
CID 8993496
N-(3-cyanothiophen-2-yl)-2-[[(S)-(4-methylphenyl)-phenylmethyl]amino]acetamide
CID 9393472
N-(5-methyl-1,2-oxazol-3-yl)-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998064
N-(3-cyanothiophen-2-yl)-2-[[(R)-[4-(difluoromethoxy)phenyl]-phenylmethyl]amino]acetamide
CID 8720364
2-[[2-[(3-cyanothiophen-2-yl)amino]-2-oxoethyl]amino]-3-methylbutanoic acid
CID 43468420
N-(2-methyl-6-nitrophenyl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8998041
N-benzyl-2-[[(S)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide
CID 8997932
2-[[(R)-(4-methylphenyl)-thiophen-2-ylmethyl]amino]-N-[(1R)-1-thiophen-2-ylethyl]acetamide
CID 8868329
N-(3-cyanothiophen-2-yl)-3-[[(S)-(4-methylphenyl)-phenylmethyl]amino]propanamide
CID 9392522

Frequently Asked Questions

What is the IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The IUPAC name of N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide (CID 8998084) is N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide.
What is the SMILES notation for N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The canonical SMILES for N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is CC(C)c1ccc([C@@H](NCC(=O)Nc2sccc2C#N)c2cccs2)cc1.
What is the InChIKey of N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
The InChIKey is HLNQVBUSJXCEPS-HXUWFJFHSA-N. The full InChI is InChI=1S/C21H21N3OS2/c1-14(2)15-5-7-16(8-6-15)20(18-4-3-10-26-18)23-13-19(25)24-21-17(12-22)9-11-27-21/h3-11,14,20,23H,13H2,1-2H3,(H,24,25)/t20-/m1/s1.
What are the key properties of N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide?
N-(3-cyanothiophen-2-yl)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide has a molecular weight of 395.55 g/mol, XLogP of 5.12, 7 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)-2-[[(R)-(4-propan-2-ylphenyl)-thiophen-2-ylmethyl]amino]acetamide is sourced from PubChem (CID 8998084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).