N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

C18H21ClN2O3S — CID 2226185

IUPACN-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-11-15-7-3-2-4-8-15)14-18(22)20-13-16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyCXSKOZANXDQZTK-UHFFFAOYSA-N
MW380.90 g/mol
LogP2.46
Rot. Bonds8

About N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide

N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (PubChem CID 2226185) has the molecular formula C18H21ClN2O3S and a molecular weight of 380.90 g/mol. Its IUPAC name is N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.

Molecular Properties

Compound NameN-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
PubChem CID2226185
Molecular FormulaC18H21ClN2O3S
Molecular Weight380.90 g/mol
Exact Mass380.10
IUPAC NameN-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide
SMILESCS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1Cl
InChIInChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-11-15-7-3-2-4-8-15)14-18(22)20-13-16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3,(H,20,22)
InChIKeyCXSKOZANXDQZTK-UHFFFAOYSA-N
XLogP2.46
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500380.90
LogP ≤ 52.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The IUPAC name of N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide (CID 2226185) is N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide.
What is the SMILES notation for N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The canonical SMILES for N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is CS(=O)(=O)N(CCc1ccccc1)CC(=O)NCc1ccccc1Cl.
What is the InChIKey of N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
The InChIKey is CXSKOZANXDQZTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN2O3S/c1-25(23,24)21(12-11-15-7-3-2-4-8-15)14-18(22)20-13-16-9-5-6-10-17(16)19/h2-10H,11-14H2,1H3,(H,20,22).
What are the key properties of N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide?
N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide has a molecular weight of 380.90 g/mol, XLogP of 2.46, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2-chlorophenyl)methyl]-2-[methylsulfonyl(2-phenylethyl)amino]acetamide is sourced from PubChem (CID 2226185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).