N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

C19H30N2O3S — CID 2969148

IUPACN-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(4,23)24)16(3)19(22)20-17-9-7-5-6-8-10-17/h11-13,16-17H,5-10H2,1-4H3,(H,20,22)
InChIKeyGWUKNKYDIMLNNM-UHFFFAOYSA-N
MW366.53 g/mol
LogP3.30
Rot. Bonds5

About N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide

N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (PubChem CID 2969148) has the molecular formula C19H30N2O3S and a molecular weight of 366.53 g/mol. Its IUPAC name is N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
PubChem CID2969148
Molecular FormulaC19H30N2O3S
Molecular Weight366.53 g/mol
Exact Mass366.20
IUPAC NameN-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
SMILESCc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C
InChIInChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(4,23)24)16(3)19(22)20-17-9-7-5-6-8-10-17/h11-13,16-17H,5-10H2,1-4H3,(H,20,22)
InChIKeyGWUKNKYDIMLNNM-UHFFFAOYSA-N
XLogP3.30
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.53
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
N-cyclohexyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 3355397
(2S)-N-cycloheptyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2236603
(2S)-N-cyclopentyl-2-(3-methyl-N-methylsulfonylanilino)propanamide
CID 95118270
(2R)-N-cyclohexyl-2-(N-methylsulfonylanilino)propanamide
CID 700516
(2R)-N-cyclohexyl-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 28632212
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
(2R)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-methylpropanamide
CID 961865
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 98238475
(2R)-N-cyclopropyl-2-(4-methyl-N-methylsulfonylanilino)propanamide
CID 2231178
(2S)-N-cyclohexyl-2-(N-methylsulfonyl-4-phenoxyanilino)propanamide
CID 126032376
(2S)-2-(3,4-dimethyl-N-methylsulfonylanilino)-N-(2,5-dimethylphenyl)propanamide
CID 1248592

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide (CID 2969148) is N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is Cc1ccc(N(C(C)C(=O)NC2CCCCCC2)S(C)(=O)=O)cc1C.
What is the InChIKey of N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
The InChIKey is GWUKNKYDIMLNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H30N2O3S/c1-14-11-12-18(13-15(14)2)21(25(4,23)24)16(3)19(22)20-17-9-7-5-6-8-10-17/h11-13,16-17H,5-10H2,1-4H3,(H,20,22).
What are the key properties of N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide?
N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide has a molecular weight of 366.53 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 2969148), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).