N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide

C20H26ClNO2S — CID 140528978

IUPACN-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(CC[C@H](NS(=O)C(C)(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3/t19-,25?/m0/s1
InChIKeyGIZYDITUAWKIGI-UBDBMELISA-N
MW379.95 g/mol
LogP5.07
Rot. Bonds7

About N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide

N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide (PubChem CID 140528978) has the molecular formula C20H26ClNO2S and a molecular weight of 379.95 g/mol. Its IUPAC name is N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide.

Molecular Properties

Compound NameN-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
PubChem CID140528978
Molecular FormulaC20H26ClNO2S
Molecular Weight379.95 g/mol
Exact Mass379.14
IUPAC NameN-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide
SMILESCOc1ccc(CC[C@H](NS(=O)C(C)(C)C)c2ccc(Cl)cc2)cc1
InChIInChI=1S/C20H26ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3/t19-,25?/m0/s1
InChIKeyGIZYDITUAWKIGI-UBDBMELISA-N
XLogP5.07
TPSA38.33 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500379.95
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-(4-chlorophenyl)-N-ethyl-3-(4-methoxyphenyl)propan-1-amine
CID 43488978
N-[(1S)-1-(4-methoxyphenyl)but-3-enyl]-2-methylpropane-2-sulfinamide
CID 101416899
(R)-N-[(1R)-2-[2-(2-hydroxyethyl)phenyl]-1-(4-methoxyphenyl)ethyl]-2-methylpropane-2-sulfinamide
CID 46845201
(S)-N-[(1R)-1-(4-chlorophenyl)-3-fluorobut-3-enyl]-2-methylpropane-2-sulfinamide
CID 139093252
1-(4-chlorophenyl)-2-(4-methoxyphenyl)-N-methylethanamine
CID 43481478
ethyl (4R)-4-(tert-butylsulfinylamino)-4-(4-methylphenyl)butanoate
CID 102289128
(R)-N-[(1S)-1-(4-iodophenyl)-3-(6-methoxy-2-methylsulfanylpyrimidin-4-yl)propyl]-2-methylpropane-2-sulfinamide
CID 178061238
3-acetamido-N-[2-(4-chlorophenyl)ethyl]-3-(4-methoxyphenyl)propanamide
CID 46520293
2-methyl-N-[1-(4-propoxyphenyl)propyl]propane-2-sulfinamide
CID 69247044
N-[1-(4-chlorophenyl)-3-(dimethylamino)propyl]-2-(4-methoxyphenyl)acetamide
CID 15983443
1-[(1R)-1-(4-chlorophenyl)ethyl]-3-[2-(4-methoxyphenyl)ethyl]-1-methylurea
CID 51935182
1-(3,5-dimethylphenyl)-3-(4-methoxyphenyl)-N-methylpropan-1-amine
CID 115796419

Frequently Asked Questions

What is the IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The IUPAC name of N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide (CID 140528978) is N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide.
What is the SMILES notation for N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The canonical SMILES for N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide is COc1ccc(CC[C@H](NS(=O)C(C)(C)C)c2ccc(Cl)cc2)cc1.
What is the InChIKey of N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
The InChIKey is GIZYDITUAWKIGI-UBDBMELISA-N. The full InChI is InChI=1S/C20H26ClNO2S/c1-20(2,3)25(23)22-19(16-8-10-17(21)11-9-16)14-7-15-5-12-18(24-4)13-6-15/h5-6,8-13,19,22H,7,14H2,1-4H3/t19-,25?/m0/s1.
What are the key properties of N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide?
N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide has a molecular weight of 379.95 g/mol, XLogP of 5.07, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S)-1-(4-chlorophenyl)-3-(4-methoxyphenyl)propyl]-2-methylpropane-2-sulfinamide is sourced from PubChem (CID 140528978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).