(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

C18H28N2O3S — CID 2236603

IUPAC(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-14-10-12-17(13-11-14)20(24(3,22)23)15(2)18(21)19-16-8-6-4-5-7-9-16/h10-13,15-16H,4-9H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyCDKUTQSSNOLCBJ-HNNXBMFYSA-N
MW352.50 g/mol
LogP2.99
Rot. Bonds5

About (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide

(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (PubChem CID 2236603) has the molecular formula C18H28N2O3S and a molecular weight of 352.50 g/mol. Its IUPAC name is (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
PubChem CID2236603
Molecular FormulaC18H28N2O3S
Molecular Weight352.50 g/mol
Exact Mass352.18
IUPAC Name(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N([C@@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1
InChIInChI=1S/C18H28N2O3S/c1-14-10-12-17(13-11-14)20(24(3,22)23)15(2)18(21)19-16-8-6-4-5-7-9-16/h10-13,15-16H,4-9H2,1-3H3,(H,19,21)/t15-/m0/s1
InChIKeyCDKUTQSSNOLCBJ-HNNXBMFYSA-N
XLogP2.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.50
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 2969148
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclopropyl-2-(N-methylsulfonylanilino)propanamide
CID 807275
(2R)-2-(4-methyl-N-methylsulfonylanilino)-N-propan-2-ylpropanamide
CID 124550781
(2S)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 7030050
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2977082

Frequently Asked Questions

What is the IUPAC name of (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide (CID 2236603) is (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N([C@@H](C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1.
What is the InChIKey of (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
The InChIKey is CDKUTQSSNOLCBJ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H28N2O3S/c1-14-10-12-17(13-11-14)20(24(3,22)23)15(2)18(21)19-16-8-6-4-5-7-9-16/h10-13,15-16H,4-9H2,1-3H3,(H,19,21)/t15-/m0/s1.
What are the key properties of (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide?
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide has a molecular weight of 352.50 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2236603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).