N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide

C16H21Cl2NO2S — CID 39991988

IUPACN-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H21Cl2NO2S/c17-13-8-7-12(15(18)9-13)10-22(21)11-16(20)19-14-5-3-1-2-4-6-14/h7-9,14H,1-6,10-11H2,(H,19,20)/t22-/m0/s1
InChIKeyPSOGKDOUPAYASY-QFIPXVFZSA-N
MW362.32 g/mol
LogP4.08
Rot. Bonds5

About N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide

N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide (PubChem CID 39991988) has the molecular formula C16H21Cl2NO2S and a molecular weight of 362.32 g/mol. Its IUPAC name is N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide.

Molecular Properties

Compound NameN-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
PubChem CID39991988
Molecular FormulaC16H21Cl2NO2S
Molecular Weight362.32 g/mol
Exact Mass361.07
IUPAC NameN-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide
SMILESO=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1
InChIInChI=1S/C16H21Cl2NO2S/c17-13-8-7-12(15(18)9-13)10-22(21)11-16(20)19-14-5-3-1-2-4-6-14/h7-9,14H,1-6,10-11H2,(H,19,20)/t22-/m0/s1
InChIKeyPSOGKDOUPAYASY-QFIPXVFZSA-N
XLogP4.08
TPSA46.17 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.32
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[(2,4-dichlorophenyl)methylsulfinyl]acetic acid
CID 60982109
N-cyclopentyl-2-[(R)-(2,5-dimethylphenyl)methylsulfinyl]acetamide
CID 95169060
N-cyclopentyl-2-[(S)-(5-fluoro-2-methoxyphenyl)methylsulfinyl]acetamide
CID 96548269
3-[acetyl-[2-(2,4-dichlorophenyl)ethyl]amino]-N-cycloheptylpropanamide
CID 113123314
O-[(2,4-dichlorophenyl)methyl] N-cyclohexylcarbamothioate
CID 27101870
N-cyclopentyl-2-(2,4-dichloroanilino)acetamide
CID 28572342
N-(4-aminocyclohexyl)-2-(2,4-dichlorophenyl)acetamide;hydrochloride
CID 119474323
N-cyclopropyl-3-[(2,4-dichlorophenyl)methylamino]propanamide
CID 78978000
N-cyclopentyl-2-[(R)-(3-fluorophenyl)methylsulfinyl]acetamide
CID 95169396
1-cyclohexyl-3-[2-[(2,4-dichlorophenyl)methylsulfanyl]ethyl]urea
CID 100744347
N-cyclohexyl-2-(3,4-dichlorophenyl)acetamide
CID 2557208
2-(2,4-dichlorophenyl)-N-(4-phenylcyclohexyl)acetamide
CID 22076139

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide?
The IUPAC name of N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide (CID 39991988) is N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide.
What is the SMILES notation for N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide?
The canonical SMILES for N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide is O=C(C[S@@](=O)Cc1ccc(Cl)cc1Cl)NC1CCCCCC1.
What is the InChIKey of N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide?
The InChIKey is PSOGKDOUPAYASY-QFIPXVFZSA-N. The full InChI is InChI=1S/C16H21Cl2NO2S/c17-13-8-7-12(15(18)9-13)10-22(21)11-16(20)19-14-5-3-1-2-4-6-14/h7-9,14H,1-6,10-11H2,(H,19,20)/t22-/m0/s1.
What are the key properties of N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide?
N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide has a molecular weight of 362.32 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-[(S)-(2,4-dichlorophenyl)methylsulfinyl]acetamide is sourced from PubChem (CID 39991988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).