N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

C19H18N4O2S — CID 134046181

IUPACN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O2S/c20-18(24)13-26-17-9-5-4-8-16(17)22-19(25)10-14-11-21-23(12-14)15-6-2-1-3-7-15/h1-9,11-12H,10,13H2,(H2,20,24)(H,22,25)
InChIKeyFNIMXXBUDJKRIG-UHFFFAOYSA-N
MW366.45 g/mol
LogP2.63
Rot. Bonds7

About N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide

N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (PubChem CID 134046181) has the molecular formula C19H18N4O2S and a molecular weight of 366.45 g/mol. Its IUPAC name is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
PubChem CID134046181
Molecular FormulaC19H18N4O2S
Molecular Weight366.45 g/mol
Exact Mass366.12
IUPAC NameN-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide
SMILESNC(=O)CSc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1
InChIInChI=1S/C19H18N4O2S/c20-18(24)13-26-17-9-5-4-8-16(17)22-19(25)10-14-11-21-23(12-14)15-6-2-1-3-7-15/h1-9,11-12H,10,13H2,(H2,20,24)(H,22,25)
InChIKeyFNIMXXBUDJKRIG-UHFFFAOYSA-N
XLogP2.63
TPSA90.01 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.45
LogP ≤ 52.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-phenyl-2-[[2-(1-phenylpyrazol-4-yl)acetyl]amino]acetamide
CID 51336196
N-[2-(azepan-1-yl)phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 38283400
2-(1-phenylpyrazol-4-yl)-N-(2-pyrazol-1-yl-3-pyridinyl)acetamide
CID 39166946
2-[2-[(2-bromoacetyl)amino]phenyl]sulfanylacetamide
CID 63681205
2-(1-phenylpyrazol-4-yl)-N-pyridin-4-ylacetamide
CID 18152814
2-(1-phenylpyrazol-4-yl)-N-(1,3,4-thiadiazol-2-yl)acetamide
CID 29370870
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(2-phenyl-1,3-thiazol-4-yl)acetamide
CID 55389027
N-[4-[(2S)-butan-2-yl]phenyl]-2-(1-phenylpyrazol-4-yl)acetamide
CID 26288105
N-(4-bromo-2-methylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16614530
N-(4-acetylphenyl)-2-(1-phenylpyrazol-4-yl)acetamide
CID 16620682
N-(2-benzylphenyl)-3-(1-phenylpyrazol-4-yl)propanamide
CID 26466177
2-oxo-3-(1-phenylpyrazol-4-yl)propanoic acid
CID 16787671

Frequently Asked Questions

What is the IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The IUPAC name of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide (CID 134046181) is N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide.
What is the SMILES notation for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The canonical SMILES for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is NC(=O)CSc1ccccc1NC(=O)Cc1cnn(-c2ccccc2)c1.
What is the InChIKey of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
The InChIKey is FNIMXXBUDJKRIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O2S/c20-18(24)13-26-17-9-5-4-8-16(17)22-19(25)10-14-11-21-23(12-14)15-6-2-1-3-7-15/h1-9,11-12H,10,13H2,(H2,20,24)(H,22,25).
What are the key properties of N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide?
N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide has a molecular weight of 366.45 g/mol, XLogP of 2.63, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2-amino-2-oxoethyl)sulfanylphenyl]-2-(1-phenylpyrazol-4-yl)acetamide is sourced from PubChem (CID 134046181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).