2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide

C19H23ClN2O4S — CID 139759618

IUPAC2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide
SMILESCS(=O)(=O)NC(CNC(=O)CCl)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-27(24,25)22-17(13-21-19(23)12-20)11-15-7-9-18(10-8-15)26-14-16-5-3-2-4-6-16/h2-10,17,22H,11-14H2,1H3,(H,21,23)
InChIKeyJZCKXWVFOLYLJE-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.08
Rot. Bonds10

About 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide

2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide (PubChem CID 139759618) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide.

Molecular Properties

Compound Name2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide
PubChem CID139759618
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide
SMILESCS(=O)(=O)NC(CNC(=O)CCl)Cc1ccc(OCc2ccccc2)cc1
InChIInChI=1S/C19H23ClN2O4S/c1-27(24,25)22-17(13-21-19(23)12-20)11-15-7-9-18(10-8-15)26-14-16-5-3-2-4-6-16/h2-10,17,22H,11-14H2,1H3,(H,21,23)
InChIKeyJZCKXWVFOLYLJE-UHFFFAOYSA-N
XLogP2.08
TPSA84.50 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-chloro-N-[(2R)-2-hydroxy-2-(4-phenylmethoxyphenyl)ethyl]acetamide
CID 124560470
1-chloro-3-methyl-4-(4-phenylmethoxyphenyl)butan-2-one
CID 90999211
S-[2-[2-[[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propanoyl]amino]ethylamino]-2-oxoethyl] benzenecarbothioate
CID 139759617
3-[(4-phenylmethoxyphenyl)methyl]pentane-2,4-dione
CID 10017465
(3S)-3-(methoxycarbonylamino)-4-(4-phenylmethoxyphenyl)butanoic acid
CID 121482434
(4R)-4-[(2-phenylacetyl)amino]-5-(4-phenylmethoxyphenyl)pentanoic acid
CID 159786241
methyl 2-hydroxy-3-(4-phenylmethoxyphenyl)propanoate
CID 10493427
2-chloro-N-[4-(phenoxymethyl)phenyl]acetamide
CID 82108856
(2S)-2-(2-methylsulfonylethoxycarbonylamino)-3-(4-phenylmethoxyphenyl)propanoic acid
CID 71408362
(3S)-3-(methylamino)-4-(4-phenylmethoxyphenyl)butan-2-one
CID 58904369
(2S)-2-amino-N-(3-phenoxypropyl)-3-(4-phenylmethoxyphenyl)propanamide
CID 131720927
methyl (2S)-2-(hydroxyamino)-3-(4-phenylmethoxyphenyl)propanoate
CID 10968626

Frequently Asked Questions

What is the IUPAC name of 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide?
The IUPAC name of 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide (CID 139759618) is 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide.
What is the SMILES notation for 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide?
The canonical SMILES for 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide is CS(=O)(=O)NC(CNC(=O)CCl)Cc1ccc(OCc2ccccc2)cc1.
What is the InChIKey of 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide?
The InChIKey is JZCKXWVFOLYLJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-27(24,25)22-17(13-21-19(23)12-20)11-15-7-9-18(10-8-15)26-14-16-5-3-2-4-6-16/h2-10,17,22H,11-14H2,1H3,(H,21,23).
What are the key properties of 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide?
2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide has a molecular weight of 410.92 g/mol, XLogP of 2.08, 10 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-N-[2-(methanesulfonamido)-3-(4-phenylmethoxyphenyl)propyl]acetamide is sourced from PubChem (CID 139759618), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).