(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

C17H24Cl2N2O3S — CID 8991594

IUPAC(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H24Cl2N2O3S/c1-12(17(22)20-14-7-5-3-4-6-8-14)21(25(2,23)24)16-11-13(18)9-10-15(16)19/h9-12,14H,3-8H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVYCKHCANDPZLHH-GFCCVEGCSA-N
MW407.36 g/mol
LogP3.99
Rot. Bonds5

About (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide

(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (PubChem CID 8991594) has the molecular formula C17H24Cl2N2O3S and a molecular weight of 407.36 g/mol. Its IUPAC name is (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.

Molecular Properties

Compound Name(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
PubChem CID8991594
Molecular FormulaC17H24Cl2N2O3S
Molecular Weight407.36 g/mol
Exact Mass406.09
IUPAC Name(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide
SMILESC[C@H](C(=O)NC1CCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O
InChIInChI=1S/C17H24Cl2N2O3S/c1-12(17(22)20-14-7-5-3-4-6-8-14)21(25(2,23)24)16-11-13(18)9-10-15(16)19/h9-12,14H,3-8H2,1-2H3,(H,20,22)/t12-/m1/s1
InChIKeyVYCKHCANDPZLHH-GFCCVEGCSA-N
XLogP3.99
TPSA66.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.36
LogP ≤ 53.99
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-methoxy-N-methylsulfonylanilino)-N-cyclopropylpropanamide
CID 6464021
2-[(4-chlorophenyl)methyl-[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]amino]-N-cyclohexylpropanamide
CID 132630998
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]propanamide
CID 93488529
2-(3-chloro-4-methyl-N-methylsulfonylanilino)-N-cyclooctylpropanamide
CID 132661488
(2R)-N-cyclohexyl-2-[[2-(2,5-dichloro-N-methylsulfonylanilino)acetyl]-[(2-methylphenyl)methyl]amino]propanamide
CID 125052371
2-(2,5-dichloro-N-methylsulfonylanilino)-N-(2-methylpropyl)propanamide
CID 53281217
(2R)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[[(2S)-oxolan-2-yl]methyl]propanamide
CID 8991586
methyl (2R)-2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 7378362
methyl 2-(2,5-dichloro-N-methylsulfonylanilino)propanoate
CID 2985850
(2S)-2-(2,5-dichloro-N-methylsulfonylanilino)-N-[(2R)-pentan-2-yl]propanamide
CID 8991613
N-cyclopentyl-2-(2,5-dichloro-N-methylsulfonylanilino)acetamide
CID 23883978

Frequently Asked Questions

What is the IUPAC name of (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The IUPAC name of (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide (CID 8991594) is (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide.
What is the SMILES notation for (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The canonical SMILES for (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is C[C@H](C(=O)NC1CCCCCC1)N(c1cc(Cl)ccc1Cl)S(C)(=O)=O.
What is the InChIKey of (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
The InChIKey is VYCKHCANDPZLHH-GFCCVEGCSA-N. The full InChI is InChI=1S/C17H24Cl2N2O3S/c1-12(17(22)20-14-7-5-3-4-6-8-14)21(25(2,23)24)16-11-13(18)9-10-15(16)19/h9-12,14H,3-8H2,1-2H3,(H,20,22)/t12-/m1/s1.
What are the key properties of (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide?
(2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide has a molecular weight of 407.36 g/mol, XLogP of 3.99, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-N-cycloheptyl-2-(2,5-dichloro-N-methylsulfonylanilino)propanamide is sourced from PubChem (CID 8991594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).