N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide

C14H21ClN2O3S — CID 96540406

IUPACN-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
SMILESC[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1)CS(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(10-21(3,19)20)8-17(2)9-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyYTVZMOBBICBTKJ-LLVKDONJSA-N
MW332.85 g/mol
LogP1.89
Rot. Bonds7

About N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide

N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide (PubChem CID 96540406) has the molecular formula C14H21ClN2O3S and a molecular weight of 332.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
PubChem CID96540406
Molecular FormulaC14H21ClN2O3S
Molecular Weight332.85 g/mol
Exact Mass332.10
IUPAC NameN-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide
SMILESC[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1)CS(C)(=O)=O
InChIInChI=1S/C14H21ClN2O3S/c1-11(10-21(3,19)20)8-17(2)9-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1
InChIKeyYTVZMOBBICBTKJ-LLVKDONJSA-N
XLogP1.89
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.85
LogP ≤ 51.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-2-[methyl-[2-[methyl(propan-2-yl)amino]-2-oxoethyl]amino]acetamide
CID 8816054
N-(4-chlorophenyl)-2-[methyl-[2-oxo-2-(pentan-3-ylamino)ethyl]amino]acetamide
CID 9167444
N-(4-aminophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295413
N-(4-chlorophenyl)-2-[methyl-[2-(2-methylpropylcarbamoylamino)-2-oxoethyl]amino]acetamide
CID 9166530
N-(4-acetylphenyl)-2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetamide
CID 9167165
propan-2-yl 4-[[2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]acetyl]amino]benzoate
CID 9166836
N-(3-amino-4-fluorophenyl)-2-[methyl(2-methylbutyl)amino]acetamide
CID 43295418
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-propylacetamide
CID 9302931
N-(4-chlorophenyl)-2-[(4,6-diamino-1,3,5-triazin-2-yl)methyl-methylamino]acetamide
CID 9040102
3-chloro-N-(4-chlorophenyl)butanamide
CID 10681053
3-[[2-(4-chloroanilino)-2-oxoethyl]-propan-2-ylamino]propanoic acid
CID 60840352
2-[[2-(4-chloroanilino)-2-oxoethyl]-methylamino]-N-(4-ethoxyphenyl)acetamide
CID 9167171

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide?
The IUPAC name of N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide (CID 96540406) is N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide.
What is the SMILES notation for N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide?
The canonical SMILES for N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide is C[C@H](CN(C)CC(=O)Nc1ccc(Cl)cc1)CS(C)(=O)=O.
What is the InChIKey of N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide?
The InChIKey is YTVZMOBBICBTKJ-LLVKDONJSA-N. The full InChI is InChI=1S/C14H21ClN2O3S/c1-11(10-21(3,19)20)8-17(2)9-14(18)16-13-6-4-12(15)5-7-13/h4-7,11H,8-10H2,1-3H3,(H,16,18)/t11-/m1/s1.
What are the key properties of N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide?
N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide has a molecular weight of 332.85 g/mol, XLogP of 1.89, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-2-[methyl-[(2R)-2-methyl-3-methylsulfonylpropyl]amino]acetamide is sourced from PubChem (CID 96540406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).