(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide

C18H27ClN2O3S — CID 125064270

IUPAC(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(=O)NCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H27ClN2O3S/c1-13-9-10-16(19)11-17(13)21(25(3,23)24)14(2)18(22)20-12-15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBMRSJAHCZNCLFP-CQSZACIVSA-N
MW386.95 g/mol
LogP3.50
Rot. Bonds6

About (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide

(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide (PubChem CID 125064270) has the molecular formula C18H27ClN2O3S and a molecular weight of 386.95 g/mol. Its IUPAC name is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide.

Molecular Properties

Compound Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
PubChem CID125064270
Molecular FormulaC18H27ClN2O3S
Molecular Weight386.95 g/mol
Exact Mass386.14
IUPAC Name(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide
SMILESCc1ccc(Cl)cc1N([C@H](C)C(=O)NCC1CCCCC1)S(C)(=O)=O
InChIInChI=1S/C18H27ClN2O3S/c1-13-9-10-16(19)11-17(13)21(25(3,23)24)14(2)18(22)20-12-15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,20,22)/t14-/m1/s1
InChIKeyBMRSJAHCZNCLFP-CQSZACIVSA-N
XLogP3.50
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.95
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2S)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 41466602
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[2-(3,4-dimethylphenoxy)ethyl]propanamide
CID 133229385
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991586
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(4-methoxyphenyl)propyl]propanamide
CID 132671749
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(2-morpholin-4-ylethyl)propanamide
CID 92764440
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
CID 8991594
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[3-(N-methylanilino)propyl]propanamide
CID 132671407
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[4-(diethylamino)phenyl]methyl]propanamide
CID 133210611
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(naphthalen-2-ylmethyl)propanamide
CID 133218795
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)propanamide
CID 41466614
2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 133189180
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-[[3-(pyrrolidin-1-ylmethyl)phenyl]methyl]propanamide
CID 125070911

Frequently Asked Questions

What is the IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide?
The IUPAC name of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide (CID 125064270) is (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide.
What is the SMILES notation for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide?
The canonical SMILES for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide is Cc1ccc(Cl)cc1N([C@H](C)C(=O)NCC1CCCCC1)S(C)(=O)=O.
What is the InChIKey of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide?
The InChIKey is BMRSJAHCZNCLFP-CQSZACIVSA-N. The full InChI is InChI=1S/C18H27ClN2O3S/c1-13-9-10-16(19)11-17(13)21(25(3,23)24)14(2)18(22)20-12-15-7-5-4-6-8-15/h9-11,14-15H,4-8,12H2,1-3H3,(H,20,22)/t14-/m1/s1.
What are the key properties of (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide?
(2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide has a molecular weight of 386.95 g/mol, XLogP of 3.50, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-(5-chloro-2-methyl-N-methylsulfonylanilino)-N-(cyclohexylmethyl)propanamide is sourced from PubChem (CID 125064270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).