2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

C19H22ClFN2O4S — CID 30403931

IUPAC2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O4S/c1-4-23(28(25,26)16-9-10-18(27-3)17(20)11-16)12-19(24)22-13(2)14-5-7-15(21)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyNAFACHHSIMRDAN-CYBMUJFWSA-N
MW428.91 g/mol
LogP3.38
Rot. Bonds8

About 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide

2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (PubChem CID 30403931) has the molecular formula C19H22ClFN2O4S and a molecular weight of 428.91 g/mol. Its IUPAC name is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
PubChem CID30403931
Molecular FormulaC19H22ClFN2O4S
Molecular Weight428.91 g/mol
Exact Mass428.10
IUPAC Name2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide
SMILESCCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1
InChIInChI=1S/C19H22ClFN2O4S/c1-4-23(28(25,26)16-9-10-18(27-3)17(20)11-16)12-19(24)22-13(2)14-5-7-15(21)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1
InChIKeyNAFACHHSIMRDAN-CYBMUJFWSA-N
XLogP3.38
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.91
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-fluorophenyl)sulfonylamino]acetamide
CID 28547921
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43906254
2-[(3-chloro-4-ethoxyphenyl)sulfonyl-ethylamino]-N-[1-(3,4-dimethoxyphenyl)ethyl]acetamide
CID 43872685
N-[(1S)-1-(3-bromophenyl)ethyl]-2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]acetamide
CID 92645757
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(2R)-pentan-2-yl]acetamide
CID 92645712
2-[benzyl-(3-chloro-4-methoxyphenyl)sulfonylamino]-N-(1-phenylethyl)acetamide
CID 2984766
2-[ethyl-(4-methoxy-3-methylphenyl)sulfonylamino]-N-[(1S)-1-(4-methoxyphenyl)ethyl]acetamide
CID 92645567
2-(3-chloro-4-methoxy-N-(4-methylphenyl)sulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43885290
2-[(3-chloro-4-methoxyphenyl)sulfonyl-(2-phenylethyl)amino]-N-[1-(4-chlorophenyl)ethyl]acetamide
CID 43872467
2-[ethyl-(4-fluorophenyl)sulfonylamino]-N-[1-(4-methylsulfanylphenyl)ethyl]acetamide
CID 43872531
2-(3-chloro-4-methoxy-N-methylsulfonylanilino)-N-[1-(4-fluorophenyl)ethyl]acetamide
CID 43915286
N-[(1R)-1-(3,4-dimethoxyphenyl)ethyl]-2-[ethyl-(4-methoxyphenyl)sulfonylamino]acetamide
CID 125044508

Frequently Asked Questions

What is the IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The IUPAC name of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide (CID 30403931) is 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide.
What is the SMILES notation for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The canonical SMILES for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is CCN(CC(=O)N[C@H](C)c1ccc(F)cc1)S(=O)(=O)c1ccc(OC)c(Cl)c1.
What is the InChIKey of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
The InChIKey is NAFACHHSIMRDAN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H22ClFN2O4S/c1-4-23(28(25,26)16-9-10-18(27-3)17(20)11-16)12-19(24)22-13(2)14-5-7-15(21)8-6-14/h5-11,13H,4,12H2,1-3H3,(H,22,24)/t13-/m1/s1.
What are the key properties of 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide?
2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide has a molecular weight of 428.91 g/mol, XLogP of 3.38, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3-chloro-4-methoxyphenyl)sulfonyl-ethylamino]-N-[(1R)-1-(4-fluorophenyl)ethyl]acetamide is sourced from PubChem (CID 30403931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).