2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

C15H22ClNO3S — CID 95625333

IUPAC2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1Cl)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C15H22ClNO3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyHNYALKZYFFDREQ-GFCCVEGCSA-N
MW331.87 g/mol
LogP2.55
Rot. Bonds7

About 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide

2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (PubChem CID 95625333) has the molecular formula C15H22ClNO3S and a molecular weight of 331.87 g/mol. Its IUPAC name is 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.

Molecular Properties

Compound Name2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
PubChem CID95625333
Molecular FormulaC15H22ClNO3S
Molecular Weight331.87 g/mol
Exact Mass331.10
IUPAC Name2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
SMILESCCN(C(=O)Cc1ccccc1Cl)[C@H](C)CS(=O)(=O)CC
InChIInChI=1S/C15H22ClNO3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1
InChIKeyHNYALKZYFFDREQ-GFCCVEGCSA-N
XLogP2.55
TPSA54.45 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.87
LogP ≤ 52.55
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-[[2-(2-chlorophenyl)acetyl]-ethylamino]butanoic acid
CID 55123907
2-(2-chloro-6-fluorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide
CID 95322200
2-[butan-2-yl-[2-(2-chlorophenyl)acetyl]amino]acetic acid
CID 60828054
4-[[2-(2-chlorophenyl)acetyl]-propan-2-ylamino]butanoic acid
CID 60825695
3-[2-(2-chlorophenyl)ethyl]-1-ethyl-1-[(2S)-1-methylsulfonylpropan-2-yl]urea
CID 95767545
(2R)-N-[(2R)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(2-chlorophenyl)methyl]amino]butanamide
CID 100697908
2-[2-[ethyl(propan-2-yl)amino]-2-oxoethyl]benzoic acid
CID 113354301
2-(2-chlorophenyl)-N-(2-cyanopropyl)-N-ethylacetamide
CID 54979575
N-butan-2-yl-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 132709223
(2S)-N-[(2S)-butan-2-yl]-2-[[2-(2-chlorophenyl)acetyl]-[(4-chlorophenyl)methyl]amino]propanamide
CID 100566814
(2S)-2-[[2-(2-chlorophenyl)acetyl]-[(2,6-dichlorophenyl)methyl]amino]-N-propylpropanamide
CID 100516266
2-(2-chlorophenyl)-N-ethyl-N-prop-2-ynylacetamide
CID 78970866

Frequently Asked Questions

What is the IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The IUPAC name of 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide (CID 95625333) is 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide.
What is the SMILES notation for 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The canonical SMILES for 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is CCN(C(=O)Cc1ccccc1Cl)[C@H](C)CS(=O)(=O)CC.
What is the InChIKey of 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
The InChIKey is HNYALKZYFFDREQ-GFCCVEGCSA-N. The full InChI is InChI=1S/C15H22ClNO3S/c1-4-17(12(3)11-21(19,20)5-2)15(18)10-13-8-6-7-9-14(13)16/h6-9,12H,4-5,10-11H2,1-3H3/t12-/m1/s1.
What are the key properties of 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide?
2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide has a molecular weight of 331.87 g/mol, XLogP of 2.55, 7 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-chlorophenyl)-N-ethyl-N-[(2R)-1-ethylsulfonylpropan-2-yl]acetamide is sourced from PubChem (CID 95625333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).