N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide

C19H22ClFN2O3S — CID 133229508

IUPACN-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-3-18(19(24)22-13-12-14-4-6-15(20)7-5-14)23(27(2,25)26)17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyQTXMUAVDNYLUDO-UHFFFAOYSA-N
MW412.91 g/mol
LogP3.38
Rot. Bonds8

About N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide

N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide (PubChem CID 133229508) has the molecular formula C19H22ClFN2O3S and a molecular weight of 412.91 g/mol. Its IUPAC name is N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide.

Molecular Properties

Compound NameN-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
PubChem CID133229508
Molecular FormulaC19H22ClFN2O3S
Molecular Weight412.91 g/mol
Exact Mass412.10
IUPAC NameN-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide
SMILESCCC(C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O
InChIInChI=1S/C19H22ClFN2O3S/c1-3-18(19(24)22-13-12-14-4-6-15(20)7-5-14)23(27(2,25)26)17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24)
InChIKeyQTXMUAVDNYLUDO-UHFFFAOYSA-N
XLogP3.38
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500412.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-fluoro-N-methylsulfonylanilino)-N-[2-(4-methoxyphenyl)ethyl]butanamide
CID 132672686
2-(4-chloro-N-methylsulfonylanilino)-N-[3-(4-fluorophenyl)propyl]propanamide
CID 132664346
N-[3-(4-chlorophenyl)propyl]-2-(4-methoxy-N-methylsulfonylanilino)butanamide
CID 132671766
(2S)-2-(3-chloro-N-methylsulfonylanilino)-N-[(4-fluorophenyl)methyl]butanamide
CID 28574038
2-(4-fluoro-N-methylsulfonylanilino)-N-[2-(4-fluorophenoxy)ethyl]butanamide
CID 133229529
2-(4-fluoro-N-methylsulfonylanilino)-N-[(3-fluorophenyl)methyl]butanamide
CID 53284156
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenylmethoxyethyl)butanamide
CID 133229519
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[[4-(piperidin-1-ylmethyl)phenyl]methyl]butanamide
CID 94015524
2-[[(2R)-2-(4-chloro-N-methylsulfonylanilino)butanoyl]amino]-N-[2-(3,4-dimethoxyphenyl)ethyl]benzamide
CID 98055495
2-(4-fluoro-N-methylsulfonylanilino)-N-(2-phenoxyethyl)butanamide
CID 133229509
(2R)-2-(4-chloro-N-methylsulfonylanilino)-N-[(3,4-dimethoxyphenyl)methyl]butanamide
CID 94027037
(2R)-2-(4-fluoro-N-methylsulfonylanilino)-N-[(2R)-3-methylbutan-2-yl]butanamide
CID 125077655

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The IUPAC name of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide (CID 133229508) is N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide.
What is the SMILES notation for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The canonical SMILES for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide is CCC(C(=O)NCCc1ccc(Cl)cc1)N(c1ccc(F)cc1)S(C)(=O)=O.
What is the InChIKey of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
The InChIKey is QTXMUAVDNYLUDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN2O3S/c1-3-18(19(24)22-13-12-14-4-6-15(20)7-5-14)23(27(2,25)26)17-10-8-16(21)9-11-17/h4-11,18H,3,12-13H2,1-2H3,(H,22,24).
What are the key properties of N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide?
N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide has a molecular weight of 412.91 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-chlorophenyl)ethyl]-2-(4-fluoro-N-methylsulfonylanilino)butanamide is sourced from PubChem (CID 133229508), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).