N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

C18H26N2O4S — CID 3143443

IUPACN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-12(18(21)19-17-11-13-4-5-14(17)10-13)20(25(3,22)23)15-6-8-16(24-2)9-7-15/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyABCMHGZYYZULNK-UHFFFAOYSA-N
MW366.48 g/mol
LogP2.15
Rot. Bonds6

About N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide

N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (PubChem CID 3143443) has the molecular formula C18H26N2O4S and a molecular weight of 366.48 g/mol. Its IUPAC name is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
PubChem CID3143443
Molecular FormulaC18H26N2O4S
Molecular Weight366.48 g/mol
Exact Mass366.16
IUPAC NameN-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide
SMILESCOc1ccc(N(C(C)C(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1
InChIInChI=1S/C18H26N2O4S/c1-12(18(21)19-17-11-13-4-5-14(17)10-13)20(25(3,22)23)15-6-8-16(24-2)9-7-15/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,19,21)
InChIKeyABCMHGZYYZULNK-UHFFFAOYSA-N
XLogP2.15
TPSA75.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.48
LogP ≤ 52.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148776
(2R)-N-[(1R,2R,4R)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 98148777
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(4-ethoxy-N-methylsulfonylanilino)propanamide
CID 1311473
(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
(2R)-N-[(1R,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 11898286
N-[(1S,2S,4R)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 131841924
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 7333372
(2S)-N-[(1S,2S,4S)-2-bicyclo[2.2.1]heptanyl]-2-(N-methylsulfonylanilino)propanamide
CID 124721533
(2R)-N-[(1S,2R,4S)-2-bicyclo[2.2.1]heptanyl]-2-(3,4-dimethyl-N-methylsulfonylanilino)propanamide
CID 98238475
(2R)-N-cycloheptyl-2-(4-methoxy-N-methylsulfonylanilino)propanamide
CID 1326575
N-(1-hydrazinyl-1-oxopropan-2-yl)-N-(4-methoxyphenyl)methanesulfonamide
CID 91671599

Frequently Asked Questions

What is the IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The IUPAC name of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide (CID 3143443) is N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The canonical SMILES for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is COc1ccc(N(C(C)C(=O)NC2CC3CCC2C3)S(C)(=O)=O)cc1.
What is the InChIKey of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
The InChIKey is ABCMHGZYYZULNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N2O4S/c1-12(18(21)19-17-11-13-4-5-14(17)10-13)20(25(3,22)23)15-6-8-16(24-2)9-7-15/h6-9,12-14,17H,4-5,10-11H2,1-3H3,(H,19,21).
What are the key properties of N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide?
N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide has a molecular weight of 366.48 g/mol, XLogP of 2.15, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-bicyclo[2.2.1]heptanyl)-2-(4-methoxy-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 3143443), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).