N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

C19H25N3OS — CID 46982745

IUPACN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(C)cnn1C(C)C1CC1
InChIInChI=1S/C19H25N3OS/c1-13-6-4-5-7-17(13)11-24-12-18(23)21-19-14(2)10-20-22(19)15(3)16-8-9-16/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,23)
InChIKeyXTGLBPDPFZQIQK-UHFFFAOYSA-N
MW343.50 g/mol
LogP4.34
Rot. Bonds7

About N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide

N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (PubChem CID 46982745) has the molecular formula C19H25N3OS and a molecular weight of 343.50 g/mol. Its IUPAC name is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.

Molecular Properties

Compound NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
PubChem CID46982745
Molecular FormulaC19H25N3OS
Molecular Weight343.50 g/mol
Exact Mass343.17
IUPAC NameN-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
SMILESCc1ccccc1CSCC(=O)Nc1c(C)cnn1C(C)C1CC1
InChIInChI=1S/C19H25N3OS/c1-13-6-4-5-7-17(13)11-24-12-18(23)21-19-14(2)10-20-22(19)15(3)16-8-9-16/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,23)
InChIKeyXTGLBPDPFZQIQK-UHFFFAOYSA-N
XLogP4.34
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.50
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[(2-methylphenyl)methylsulfanyl]-N-(4-propan-2-ylphenyl)acetamide
CID 875299
1-[1-[(1S)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]-3-(2-propan-2-ylsulfanylethyl)urea
CID 125158154
N-(2-ethyl-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 893537
N-(2,6-difluorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 7985076
N-(2-chlorophenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 875874
2-[(2-methylphenyl)methylsulfanyl]-N-prop-2-ynylacetamide
CID 78815263
1-[(3-benzyl-1,2,4-oxadiazol-5-yl)methyl]-3-[1-[(1R)-1-cyclopropylethyl]-4-methylpyrazol-5-yl]urea
CID 97433882
N-(2-amino-6-methylphenyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 62772095
N-(3,5-dichloro-2-pyridinyl)-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 2498579
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]-N-(2-methylpropyl)benzamide
CID 983046
N-[5-(1-methoxyethyl)-1,3,4-thiadiazol-2-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide
CID 134706786
2-[[2-[(2-methylphenyl)methylsulfanyl]acetyl]amino]thiophene-3-carboxamide
CID 2498614

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The IUPAC name of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide (CID 46982745) is N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide.
What is the SMILES notation for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The canonical SMILES for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is Cc1ccccc1CSCC(=O)Nc1c(C)cnn1C(C)C1CC1.
What is the InChIKey of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
The InChIKey is XTGLBPDPFZQIQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N3OS/c1-13-6-4-5-7-17(13)11-24-12-18(23)21-19-14(2)10-20-22(19)15(3)16-8-9-16/h4-7,10,15-16H,8-9,11-12H2,1-3H3,(H,21,23).
What are the key properties of N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide?
N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide has a molecular weight of 343.50 g/mol, XLogP of 4.34, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-cyclopropylethyl)-4-methylpyrazol-5-yl]-2-[(2-methylphenyl)methylsulfanyl]acetamide is sourced from PubChem (CID 46982745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).