2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide

C17H22N4O4S — CID 95867516

IUPAC2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
SMILESCCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H22N4O4S/c1-2-20-12-16(11-18-20)26(23,24)21-8-9-25-13-15(21)10-17(22)19-14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10,13H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyJHRIJQWPQWUSFK-OAHLLOKOSA-N
MW378.45 g/mol
LogP1.32
Rot. Bonds6

About 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide

2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide (PubChem CID 95867516) has the molecular formula C17H22N4O4S and a molecular weight of 378.45 g/mol. Its IUPAC name is 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide.

Molecular Properties

Compound Name2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
PubChem CID95867516
Molecular FormulaC17H22N4O4S
Molecular Weight378.45 g/mol
Exact Mass378.14
IUPAC Name2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide
SMILESCCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)Nc2ccccc2)cn1
InChIInChI=1S/C17H22N4O4S/c1-2-20-12-16(11-18-20)26(23,24)21-8-9-25-13-15(21)10-17(22)19-14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10,13H2,1H3,(H,19,22)/t15-/m1/s1
InChIKeyJHRIJQWPQWUSFK-OAHLLOKOSA-N
XLogP1.32
TPSA93.53 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.45
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-(3-methylmorpholin-4-yl)sulfonylpyrazol-1-yl]acetic acid
CID 43542000
2-[4-(4-phenylphenyl)sulfonylmorpholin-3-yl]acetic acid
CID 56882504
1-[3-(3-methylmorpholin-4-yl)sulfonylphenyl]-3-phenylurea
CID 110352480
2-[(3S)-4-(1-ethyl-2,5-dimethylpyrrole-3-carbonyl)morpholin-3-yl]-N-phenylacetamide
CID 95889150
3-methyl-N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]butanamide
CID 110352359
2-[(2S)-1-(4-chlorophenyl)sulfonylpiperidin-2-yl]-N-phenylacetamide
CID 26562308
2-[(3R)-4-[2-(2-amino-4,6-dimethylpyrimidin-5-yl)acetyl]morpholin-3-yl]-N-phenylacetamide
CID 95863044
benzyl N-[4-(3-methylmorpholin-4-yl)sulfonylphenyl]carbamate
CID 110352392
2-[(3S)-4-(3-imidazo[1,2-a]pyridin-2-ylpropanoyl)morpholin-3-yl]-N-phenylacetamide
CID 95861441
2-[4-(3-ethylmorpholin-4-yl)sulfonylphenyl]acetic acid
CID 43612964
2-[1-(1-benzylpyrazol-4-yl)sulfonylpiperidin-2-yl]acetic acid
CID 136549115
1-[1-(1-ethylpyrazol-4-yl)sulfonyl-4-phenylpiperidin-4-yl]ethanone
CID 56903815

Frequently Asked Questions

What is the IUPAC name of 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide?
The IUPAC name of 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide (CID 95867516) is 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide.
What is the SMILES notation for 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide?
The canonical SMILES for 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide is CCn1cc(S(=O)(=O)N2CCOC[C@H]2CC(=O)Nc2ccccc2)cn1.
What is the InChIKey of 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide?
The InChIKey is JHRIJQWPQWUSFK-OAHLLOKOSA-N. The full InChI is InChI=1S/C17H22N4O4S/c1-2-20-12-16(11-18-20)26(23,24)21-8-9-25-13-15(21)10-17(22)19-14-6-4-3-5-7-14/h3-7,11-12,15H,2,8-10,13H2,1H3,(H,19,22)/t15-/m1/s1.
What are the key properties of 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide?
2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide has a molecular weight of 378.45 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3R)-4-(1-ethylpyrazol-4-yl)sulfonylmorpholin-3-yl]-N-phenylacetamide is sourced from PubChem (CID 95867516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).