(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide

C15H19Cl2NOS — CID 7870552

IUPAC(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19Cl2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyKMRDQILTFQPQSU-SNVBAGLBSA-N
MW332.30 g/mol
LogP4.92
Rot. Bonds4

About (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide

(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide (PubChem CID 7870552) has the molecular formula C15H19Cl2NOS and a molecular weight of 332.30 g/mol. Its IUPAC name is (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide.

Molecular Properties

Compound Name(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
PubChem CID7870552
Molecular FormulaC15H19Cl2NOS
Molecular Weight332.30 g/mol
Exact Mass331.06
IUPAC Name(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
SMILESC[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1
InChIInChI=1S/C15H19Cl2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1
InChIKeyKMRDQILTFQPQSU-SNVBAGLBSA-N
XLogP4.92
TPSA29.10 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.30
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

N-(4-aminocyclohexyl)-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 119477035
2-(5-amino-2-chlorophenyl)sulfanyl-N-cyclopentylpropanamide
CID 79133802
2-(2,5-dichlorophenyl)sulfanyl-N-piperidin-3-ylpropanamide
CID 119427017
2-(2,5-dichlorophenyl)sulfanyl-N-pyrrolidin-3-ylpropanamide
CID 119452175
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(1-pyrimidin-2-ylpiperidin-4-yl)propanamide
CID 94472080
(2R)-2-(2,5-dichlorophenyl)sulfanyl-N-(propan-2-ylcarbamoyl)propanamide
CID 8736586
2-(2,5-dichlorophenyl)sulfanyl-N-(pyrrolidin-2-ylmethyl)propanamide
CID 119512562
(2R)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 7372977
(2S)-2-[(5-chloro-1,3-benzothiazol-2-yl)sulfanyl]-N-cyclohexylpropanamide
CID 7372976
(2S)-N-tert-butyl-2-(2,5-dichlorophenyl)sulfanylpropanamide
CID 8736537
(2R)-2-[[4-amino-5-(2,4-dichlorophenyl)-1,2,4-triazol-3-yl]sulfanyl]-N-cyclohexylpropanamide
CID 7183735
(2R)-2-(4-chlorophenyl)sulfanyl-N-cyclopropylpropanamide
CID 883001

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The IUPAC name of (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide (CID 7870552) is (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide.
What is the SMILES notation for (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The canonical SMILES for (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide is C[C@@H](Sc1cc(Cl)ccc1Cl)C(=O)NC1CCCCC1.
What is the InChIKey of (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide?
The InChIKey is KMRDQILTFQPQSU-SNVBAGLBSA-N. The full InChI is InChI=1S/C15H19Cl2NOS/c1-10(15(19)18-12-5-3-2-4-6-12)20-14-9-11(16)7-8-13(14)17/h7-10,12H,2-6H2,1H3,(H,18,19)/t10-/m1/s1.
What are the key properties of (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide?
(2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide has a molecular weight of 332.30 g/mol, XLogP of 4.92, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cyclohexyl-2-(2,5-dichlorophenyl)sulfanylpropanamide is sourced from PubChem (CID 7870552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).