N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

C17H23N3O3S — CID 97347944

IUPACN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O3S/c1-12(2)24(22,23)16-7-5-14(6-8-16)9-17(21)19-13(3)15-10-18-20(4)11-15/h5-8,10-13H,9H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyHFLRMEJZQKQOCB-ZDUSSCGKSA-N
MW349.46 g/mol
LogP2.02
Rot. Bonds6

About N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide

N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (PubChem CID 97347944) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.

Molecular Properties

Compound NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
PubChem CID97347944
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC NameN-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
SMILESCC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2cnn(C)c2)cc1
InChIInChI=1S/C17H23N3O3S/c1-12(2)24(22,23)16-7-5-14(6-8-16)9-17(21)19-13(3)15-10-18-20(4)11-15/h5-8,10-13H,9H2,1-4H3,(H,19,21)/t13-/m0/s1
InChIKeyHFLRMEJZQKQOCB-ZDUSSCGKSA-N
XLogP2.02
TPSA81.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,3-dimethyl-N-[1-(1-methylpyrazol-4-yl)ethyl]butanamide
CID 45147216
2-methoxy-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 110470530
N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]-3-pyridin-2-ylpropanamide
CID 124567895
2-[3-[1-(1-methylpyrazol-4-yl)ethylamino]-3-oxopropyl]benzoic acid
CID 120550055
2-[[2-(4-methylphenyl)acetyl]amino]-2-(1-methylpyrazol-4-yl)acetic acid
CID 115288221
2-(1-methylcyclohexyl)-N-[(1R)-1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 97241002
2-[[(1S)-2-hydroxy-1-(1-methylpyrazol-4-yl)ethyl]amino]-N-[(1S)-1-[4-(2-methylpropyl)phenyl]ethyl]acetamide
CID 97307325
N-[1-(oxan-4-yl)pyrazol-4-yl]-2-(4-propan-2-ylsulfonylphenyl)acetamide
CID 71810230
2-(1-methylpyrazol-4-yl)-N-propan-2-ylacetamide
CID 130716283
1-(1-methylpyrazol-4-yl)ethylthiourea
CID 130520619
1-(3-hydroxybutyl)-3-[1-(1-methylpyrazol-4-yl)ethyl]urea
CID 111507032
2-benzo[e][1]benzofuran-2-yl-N-[1-(1-methylpyrazol-4-yl)ethyl]acetamide
CID 75388015

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The IUPAC name of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide (CID 97347944) is N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide.
What is the SMILES notation for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The canonical SMILES for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is CC(C)S(=O)(=O)c1ccc(CC(=O)N[C@@H](C)c2cnn(C)c2)cc1.
What is the InChIKey of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
The InChIKey is HFLRMEJZQKQOCB-ZDUSSCGKSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-12(2)24(22,23)16-7-5-14(6-8-16)9-17(21)19-13(3)15-10-18-20(4)11-15/h5-8,10-13H,9H2,1-4H3,(H,19,21)/t13-/m0/s1.
What are the key properties of N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide?
N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide has a molecular weight of 349.46 g/mol, XLogP of 2.02, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(1-methylpyrazol-4-yl)ethyl]-2-(4-propan-2-ylsulfonylphenyl)acetamide is sourced from PubChem (CID 97347944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).