2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide

C17H16Cl2N4OS — CID 156694347

IUPAC2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)C(C)(N)c2ccccc2)sc1Cl
InChIInChI=1S/C17H16Cl2N4OS/c1-17(20,10-6-4-3-5-7-10)16(24)22-13-8-11(15(19)25-13)14-12(18)9-21-23(14)2/h3-9H,20H2,1-2H3,(H,22,24)
InChIKeyZZVVYJIQKRMYPU-UHFFFAOYSA-N
MW395.32 g/mol
LogP4.27
Rot. Bonds4

About 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide

2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide (PubChem CID 156694347) has the molecular formula C17H16Cl2N4OS and a molecular weight of 395.32 g/mol. Its IUPAC name is 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide.

Molecular Properties

Compound Name2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide
PubChem CID156694347
Molecular FormulaC17H16Cl2N4OS
Molecular Weight395.32 g/mol
Exact Mass394.04
IUPAC Name2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide
SMILESCn1ncc(Cl)c1-c1cc(NC(=O)C(C)(N)c2ccccc2)sc1Cl
InChIInChI=1S/C17H16Cl2N4OS/c1-17(20,10-6-4-3-5-7-10)16(24)22-13-8-11(15(19)25-13)14-12(18)9-21-23(14)2/h3-9H,20H2,1-2H3,(H,22,24)
InChIKeyZZVVYJIQKRMYPU-UHFFFAOYSA-N
XLogP4.27
TPSA72.94 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.32
LogP ≤ 54.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-2-(aminomethyl)-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-3-(4-fluorophenyl)propanamide
CID 45377240
2-amino-N-(2-chloro-4-methylphenyl)-2-phenylpropanamide
CID 62488219
[(1S)-1-[[4-(4-bromo-1-methylpyrazol-5-yl)-5-chlorothiophene-2-carbonyl]amino]-3,3-dimethyl-1-phenylbutan-2-yl]carbamic acid
CID 69086424
2-amino-N-(4-chloro-3-fluorophenyl)-2-phenylpropanamide
CID 62487359
2-amino-2-phenyl-N-(1-propan-2-ylpyrazol-4-yl)propanamide
CID 62902672
2-amino-N-(2-chloro-5-methoxyphenyl)-2-phenylpropanamide
CID 62489467
2-amino-N-(4-chloro-3-methoxyphenyl)-2-phenylpropanamide
CID 107621841
4-amino-1-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-3-(3-chlorophenyl)butan-1-one
CID 58201571
2-amino-N-(2-chloropyrimidin-4-yl)-2-phenylpropanamide
CID 116795046
2-amino-N-(1,3-dimethylpyrazol-4-yl)-2-phenylpropanamide
CID 102805572
N-[(2S)-1-amino-3-[3-(fluoromethyl)phenyl]propan-2-yl]-5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophene-2-carboxamide
CID 122599574
2-amino-N-(3,5-difluorophenyl)-2-phenylpropanamide
CID 62487163

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide?
The IUPAC name of 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide (CID 156694347) is 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide.
What is the SMILES notation for 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide?
The canonical SMILES for 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide is Cn1ncc(Cl)c1-c1cc(NC(=O)C(C)(N)c2ccccc2)sc1Cl.
What is the InChIKey of 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide?
The InChIKey is ZZVVYJIQKRMYPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16Cl2N4OS/c1-17(20,10-6-4-3-5-7-10)16(24)22-13-8-11(15(19)25-13)14-12(18)9-21-23(14)2/h3-9H,20H2,1-2H3,(H,22,24).
What are the key properties of 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide?
2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide has a molecular weight of 395.32 g/mol, XLogP of 4.27, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[5-chloro-4-(4-chloro-1-methylpyrazol-5-yl)thiophen-2-yl]-2-phenylpropanamide is sourced from PubChem (CID 156694347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).