(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide

C16H24ClNO3S — CID 95280366

IUPAC(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)NCC(C)(C)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO3S/c1-11(2)22(20,21)12(3)15(19)18-10-16(4,5)13-8-6-7-9-14(13)17/h6-9,11-12H,10H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyLSZOXZKCJHWVFW-GFCCVEGCSA-N
MW345.89 g/mol
LogP2.95
Rot. Bonds6

About (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide

(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide (PubChem CID 95280366) has the molecular formula C16H24ClNO3S and a molecular weight of 345.89 g/mol. Its IUPAC name is (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide.

Molecular Properties

Compound Name(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
PubChem CID95280366
Molecular FormulaC16H24ClNO3S
Molecular Weight345.89 g/mol
Exact Mass345.12
IUPAC Name(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide
SMILESCC(C)S(=O)(=O)[C@H](C)C(=O)NCC(C)(C)c1ccccc1Cl
InChIInChI=1S/C16H24ClNO3S/c1-11(2)22(20,21)12(3)15(19)18-10-16(4,5)13-8-6-7-9-14(13)17/h6-9,11-12H,10H2,1-5H3,(H,18,19)/t12-/m1/s1
InChIKeyLSZOXZKCJHWVFW-GFCCVEGCSA-N
XLogP2.95
TPSA63.24 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.89
LogP ≤ 52.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]-4-methylpentanamide
CID 119773059
3-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]butanamide;hydrochloride
CID 119773046
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(methylamino)acetamide;hydrochloride
CID 119773024
2-(2-chlorophenyl)-2-methylpropane-1-sulfonic acid
CID 115046430
3-(2-aminophenyl)-N-[2-(2-chlorophenyl)-2-methylpropyl]propanamide
CID 120610426
N-[2-(2-chlorophenyl)-2-methylpropyl]-2-(2-methoxyethylamino)acetamide;hydrochloride
CID 119773052
3-[[2-(2-bromophenyl)-2-methylpropyl]amino]-2-methyl-3-oxopropanoic acid
CID 115164425
2-(2-chlorophenyl)sulfonyl-N-(2-methoxyethyl)propanamide
CID 47217645
2-chloro-N-[2-methyl-2-(2-propan-2-ylphenyl)propyl]acetamide
CID 175366579
9-amino-N-[2-(2-chlorophenyl)-2-methylpropyl]bicyclo[3.3.1]nonane-3-carboxamide;hydrochloride
CID 120988953
(3R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-3-[(dimethylamino)methyl]pyrrolidine-1-carboxamide
CID 99626919
N-[2-(2-chlorophenyl)-2-methylpropyl]-4-(methoxymethyl)piperidine-4-carboxamide;hydrochloride
CID 120630764

Frequently Asked Questions

What is the IUPAC name of (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide?
The IUPAC name of (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide (CID 95280366) is (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide.
What is the SMILES notation for (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide?
The canonical SMILES for (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide is CC(C)S(=O)(=O)[C@H](C)C(=O)NCC(C)(C)c1ccccc1Cl.
What is the InChIKey of (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide?
The InChIKey is LSZOXZKCJHWVFW-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H24ClNO3S/c1-11(2)22(20,21)12(3)15(19)18-10-16(4,5)13-8-6-7-9-14(13)17/h6-9,11-12H,10H2,1-5H3,(H,18,19)/t12-/m1/s1.
What are the key properties of (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide?
(2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide has a molecular weight of 345.89 g/mol, XLogP of 2.95, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-[2-(2-chlorophenyl)-2-methylpropyl]-2-propan-2-ylsulfonylpropanamide is sourced from PubChem (CID 95280366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).