(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide

C19H24ClNOS — CID 7816486

IUPAC(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNOS/c1-12(23-17-4-2-16(20)3-5-17)18(22)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyWAOWDWDYYPCOGX-UHSVVUDUSA-N
MW349.93 g/mol
LogP4.91
Rot. Bonds4

About (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide

(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide (PubChem CID 7816486) has the molecular formula C19H24ClNOS and a molecular weight of 349.93 g/mol. Its IUPAC name is (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
PubChem CID7816486
Molecular FormulaC19H24ClNOS
Molecular Weight349.93 g/mol
Exact Mass349.13
IUPAC Name(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide
SMILESC[C@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2
InChIInChI=1S/C19H24ClNOS/c1-12(23-17-4-2-16(20)3-5-17)18(22)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1
InChIKeyWAOWDWDYYPCOGX-UHSVVUDUSA-N
XLogP4.91
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.93
LogP ≤ 54.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

(2R)-N-(1-adamantyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055668
(2R)-N-(1-adamantylcarbamoyl)-2-(3,4-difluorophenyl)sulfanylpropanamide
CID 9055729
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001
[(2S)-1-(1-adamantylamino)-1-oxopropan-2-yl]-[(1R)-1-(4-chlorophenyl)ethyl]azanium
CID 9334846
N-(1-adamantyl)-4-chlorobenzamide
CID 2848134
(2R)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98209551
2-(4-chlorophenyl)sulfanyl-N-(3-methyl-1,1-dioxothiolan-3-yl)propanamide
CID 42939303
N-(1-adamantyl)-2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]propanamide
CID 51141774
(2S)-N-(1-adamantyl)-2-(1,3-benzothiazol-2-ylsulfanyl)propanamide
CID 7756895
(2S)-N-[(1S)-1-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]ethyl]-2-(4-chlorophenyl)sulfanylpropanamide
CID 98670180
(2S)-N-(1-adamantyl)-2-[[5-(4-chlorophenyl)-4-(furan-2-ylmethyl)-1,2,4-triazol-3-yl]sulfanyl]propanamide
CID 41381264
2-(4-chlorophenyl)sulfanyl-N-methoxypropanamide
CID 60701143

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The IUPAC name of (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide (CID 7816486) is (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide is C[C@H](Sc1ccc(Cl)cc1)C(=O)NC12CC3CC(CC(C3)C1)C2.
What is the InChIKey of (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide?
The InChIKey is WAOWDWDYYPCOGX-UHSVVUDUSA-N. The full InChI is InChI=1S/C19H24ClNOS/c1-12(23-17-4-2-16(20)3-5-17)18(22)21-19-9-13-6-14(10-19)8-15(7-13)11-19/h2-5,12-15H,6-11H2,1H3,(H,21,22)/t12-,13?,14?,15?,19?/m0/s1.
What are the key properties of (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide?
(2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide has a molecular weight of 349.93 g/mol, XLogP of 4.91, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1-adamantyl)-2-(4-chlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7816486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).