2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide

C20H26N4O2S — CID 51237876

IUPAC2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1)C1CCCCC1
InChIInChI=1S/C20H26N4O2S/c1-23-13-12-18(22-23)21-20(26)16-10-6-7-11-17(16)27-14-19(25)24(2)15-8-4-3-5-9-15/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,21,22,26)
InChIKeySUQHGKVNRYHNFU-UHFFFAOYSA-N
MW386.52 g/mol
LogP3.56
Rot. Bonds6

About 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide

2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide (PubChem CID 51237876) has the molecular formula C20H26N4O2S and a molecular weight of 386.52 g/mol. Its IUPAC name is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide.

Molecular Properties

Compound Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
PubChem CID51237876
Molecular FormulaC20H26N4O2S
Molecular Weight386.52 g/mol
Exact Mass386.18
IUPAC Name2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide
SMILESCN(C(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1)C1CCCCC1
InChIInChI=1S/C20H26N4O2S/c1-23-13-12-18(22-23)21-20(26)16-10-6-7-11-17(16)27-14-19(25)24(2)15-8-4-3-5-9-15/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,21,22,26)
InChIKeySUQHGKVNRYHNFU-UHFFFAOYSA-N
XLogP3.56
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.52
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(1-(5-ethyl-4-methyl-6-oxo-1,6-dihydropyrimidin-2-yl)-3-methyl-1H-pyrazol-5-yl)-2-(methylthio)benzamide
CID 135551751
N-(1-{1-[3-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)cyclopropanecarboxamide
CID 24790104
2-methyl-N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24791730
N-[2-[1-(1-cyclohex-3-enylmethyl)-4-piperidinyl]-3-pyrazolyl]benzamide
CID 24792982
N-(1-{1-[4-(methylthio)benzyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817325
N-(1-{1-[3-(methylthio)propanoyl]-4-piperidinyl}-1H-pyrazol-5-yl)-4-phenylbutanamide
CID 24817749
N-[2-[1-(1-methylsulfanylpropan-2-yl)piperidin-4-yl]pyrazol-3-yl]-4-phenylbutanamide
CID 24817764
4-(dimethylsulfamoyl)-N-(1-methylpyrazol-3-yl)benzamide
CID 7638262
2-methyl-N-{1-[1-(4-pentenoyl)-4-piperidinyl]-1H-pyrazol-5-yl}benzamide
CID 24791208
N-(1-{1-[(5-acetyl-3-thienyl)methyl]-4-piperidinyl}-1H-pyrazol-5-yl)benzamide
CID 24793065
N-[2-(1-cyclohexylpiperidin-4-yl)pyrazol-3-yl]benzamide
CID 24794158
2,2-dimethyl-N-[2-[1-(2-methylsulfanylbenzoyl)piperidin-4-yl]pyrazol-3-yl]propanamide
CID 24817577

Frequently Asked Questions

What is the IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The IUPAC name of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide (CID 51237876) is 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide.
What is the SMILES notation for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The canonical SMILES for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide is CN(C(=O)CSc1ccccc1C(=O)Nc1ccn(C)n1)C1CCCCC1.
What is the InChIKey of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
The InChIKey is SUQHGKVNRYHNFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H26N4O2S/c1-23-13-12-18(22-23)21-20(26)16-10-6-7-11-17(16)27-14-19(25)24(2)15-8-4-3-5-9-15/h6-7,10-13,15H,3-5,8-9,14H2,1-2H3,(H,21,22,26).
What are the key properties of 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide?
2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide has a molecular weight of 386.52 g/mol, XLogP of 3.56, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[cyclohexyl(methyl)amino]-2-oxoethyl]sulfanyl-N-(1-methylpyrazol-3-yl)benzamide is sourced from PubChem (CID 51237876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).