2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide

C19H23ClN2O4S — CID 133185523

IUPAC2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
SMILESCC(C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-15(22(27(2,24)25)18-10-8-17(20)9-11-18)19(23)21-12-13-26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyRBDBWHDNNAVUOR-UHFFFAOYSA-N
MW410.92 g/mol
LogP2.83
Rot. Bonds9

About 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide

2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide (PubChem CID 133185523) has the molecular formula C19H23ClN2O4S and a molecular weight of 410.92 g/mol. Its IUPAC name is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide.

Molecular Properties

Compound Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
PubChem CID133185523
Molecular FormulaC19H23ClN2O4S
Molecular Weight410.92 g/mol
Exact Mass410.11
IUPAC Name2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
SMILESCC(C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O
InChIInChI=1S/C19H23ClN2O4S/c1-15(22(27(2,24)25)18-10-8-17(20)9-11-18)19(23)21-12-13-26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23)
InChIKeyRBDBWHDNNAVUOR-UHFFFAOYSA-N
XLogP2.83
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.92
LogP ≤ 52.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(2R)-2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide
CID 125066082
(2R)-N-butyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 126415319
N-[2-(2-tert-butylphenoxy)ethyl]-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 133252152
(2R)-N-[2-(4-chlorophenoxy)ethyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 125057542
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229519
2-(3-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229441
(2S)-N-benzyl-2-(N-methylsulfonylanilino)propanamide
CID 700385
2-(4-chloro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 4214527
(2S)-N-(3-methoxypropyl)-2-(N-methylsulfonylanilino)propanamide
CID 2289786
N,N-dibenzyl-2-(4-chloro-N-methylsulfonylanilino)propanamide
CID 5105119
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
N-[(4-chlorophenyl)methyl]-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 3715471

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide?
The IUPAC name of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide (CID 133185523) is 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide.
What is the SMILES notation for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide?
The canonical SMILES for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide is CC(C(=O)NCCOCc1ccccc1)N(c1ccc(Cl)cc1)S(C)(=O)=O.
What is the InChIKey of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide?
The InChIKey is RBDBWHDNNAVUOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23ClN2O4S/c1-15(22(27(2,24)25)18-10-8-17(20)9-11-18)19(23)21-12-13-26-14-16-6-4-3-5-7-16/h3-11,15H,12-14H2,1-2H3,(H,21,23).
What are the key properties of 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide?
2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide has a molecular weight of 410.92 g/mol, XLogP of 2.83, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)propanamide is sourced from PubChem (CID 133185523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).