3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide

C19H21ClN2O4S — CID 42920159

IUPAC3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-12-4-9-16(27(3,25)26)10-17(12)22-19(24)11-18(21-13(2)23)14-5-7-15(20)8-6-14/h4-10,18H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYDWZBFUIJOBXJG-UHFFFAOYSA-N
MW408.91 g/mol
LogP3.26
Rot. Bonds6

About 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide

3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide (PubChem CID 42920159) has the molecular formula C19H21ClN2O4S and a molecular weight of 408.91 g/mol. Its IUPAC name is 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide.

Molecular Properties

Compound Name3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
PubChem CID42920159
Molecular FormulaC19H21ClN2O4S
Molecular Weight408.91 g/mol
Exact Mass408.09
IUPAC Name3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide
SMILESCC(=O)NC(CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClN2O4S/c1-12-4-9-16(27(3,25)26)10-17(12)22-19(24)11-18(21-13(2)23)14-5-7-15(20)8-6-14/h4-10,18H,11H2,1-3H3,(H,21,23)(H,22,24)
InChIKeyYDWZBFUIJOBXJG-UHFFFAOYSA-N
XLogP3.26
TPSA92.34 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.91
LogP ≤ 53.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-acetamido-N-(5-chloro-2-methylphenyl)-3-(4-chlorophenyl)propanamide
CID 51195326
3-acetamido-3-(4-chlorophenyl)-N-(4,5-dimethoxy-2-methylphenyl)propanamide
CID 51195428
3-acetamido-3-(4-chlorophenyl)-N-(4-fluoro-2-methylphenyl)propanamide
CID 51195587
N-(2-methyl-5-methylsulfonylphenyl)-3,3-diphenylpropanamide
CID 27990757
4-[[3-acetamido-3-(4-chlorophenyl)propanoyl]amino]-N,3-dimethylbenzamide
CID 55706071
3-acetamido-3-(4-chlorophenyl)-N-[4-[(4-methylphenyl)sulfonylamino]phenyl]propanamide
CID 55377378
3-acetamido-N-(4-chloro-2-fluorophenyl)-3-(4-methylphenyl)propanamide
CID 51195101
3-acetamido-3-(4-chlorophenyl)-N-(4-methylphenyl)propanamide
CID 51194875
3-(4-chlorophenyl)-3-(methanesulfonamido)-N-(2-methylphenyl)propanamide
CID 133255260
(3R)-N-(4-chloro-2-methylphenyl)-3-(4-chlorophenyl)-3-(methanesulfonamido)propanamide
CID 100783730
3-acetamido-3-(4-chlorophenyl)-N-(3,5-difluorophenyl)propanamide
CID 51271181
N-[3-[[3-acetamido-3-(4-methylphenyl)propanoyl]amino]-4-methylphenyl]-2-methylpropanamide
CID 55708659

Frequently Asked Questions

What is the IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide?
The IUPAC name of 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide (CID 42920159) is 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide.
What is the SMILES notation for 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide?
The canonical SMILES for 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide is CC(=O)NC(CC(=O)Nc1cc(S(C)(=O)=O)ccc1C)c1ccc(Cl)cc1.
What is the InChIKey of 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide?
The InChIKey is YDWZBFUIJOBXJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN2O4S/c1-12-4-9-16(27(3,25)26)10-17(12)22-19(24)11-18(21-13(2)23)14-5-7-15(20)8-6-14/h4-10,18H,11H2,1-3H3,(H,21,23)(H,22,24).
What are the key properties of 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide?
3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide has a molecular weight of 408.91 g/mol, XLogP of 3.26, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-acetamido-3-(4-chlorophenyl)-N-(2-methyl-5-methylsulfonylphenyl)propanamide is sourced from PubChem (CID 42920159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).